1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one

C203H222Cl6N26O23 — CID 158634582

IUPAC1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2c(Cl)cccc2[nH]1.CC(C)C(=O)c1cc2cc(Cl)ccc2[nH]1.CC(C)C(=O)c1cc2ccc(Cl)cc2[nH]1.CC(C)C(=O)c1cc2cccc(Cl)c2[nH]1.CC(C)C(=O)c1cc2ccccc2[nH]1.CC(C)C(=O)c1nc2c(Cl)cccc2[nH]1.CC(C)C(=O)c1nc2ccc(Cl)cc2[nH]1.CC(C)C(=O)c1nc2ccccc2[nH]1.CC(C)C(=O)c1nc2ccncc2[nH]1.CC(C)C(=O)c1nc2ncccc2[nH]1.CCc1cccc2[nH]c(C(=O)C(C)C)cc12.COc1ccc2[nH]c(C(=O)C(C)C)cc2c1.COc1ccc2cc(C(=O)C(C)C)[nH]c2c1.COc1cccc2[nH]c(C(=O)C(C)C)cc12.COc1cccc2[nH]c(C(=O)C(C)C)nc12.COc1cccc2[nH]c(C(=O)C(C)C)nc12.COc1cccc2cc(C(=O)C(C)C)[nH]c12
InChIInChI=1S/C14H17NO.4C13H15NO2.4C12H12ClNO.2C12H14N2O2.C12H13NO.2C11H11ClN2O.C11H12N2O.2C10H11N3O/c1-4-10-6-5-7-12-11(10)8-13(15-12)14(16)9(2)3;1-8(2)13(15)12-7-9-6-10(16-3)4-5-11(9)14-12;1-8(2)13(15)12-6-9-4-5-10(16-3)7-11(9)14-12;1-8(2)13(15)11-7-9-10(14-11)5-4-6-12(9)16-3;1-8(2)13(15)10-7-9-5-4-6-11(16-3)12(9)14-10;1-7(2)12(15)11-6-8-5-9(13)3-4-10(8)14-11;1-7(2)12(15)11-5-8-3-4-9(13)6-10(8)14-11;1-7(2)12(15)11-6-8-9(13)4-3-5-10(8)14-11;1-7(2)12(15)10-6-8-4-3-5-9(13)11(8)14-10;2*1-7(2)11(15)12-13-8-5-4-6-9(16-3)10(8)14-12;1-8(2)12(14)11-7-9-5-3-4-6-10(9)13-11;1-6(2)10(15)11-13-8-4-3-7(12)5-9(8)14-11;1-6(2)10(15)11-13-8-5-3-4-7(12)9(8)14-11;1-7(2)10(14)11-12-8-5-3-4-6-9(8)13-11;1-6(2)9(14)10-12-7-3-4-11-5-8(7)13-10;1-6(2)8(14)10-12-7-4-3-5-11-9(7)13-10/h5-9,15H,4H2,1-3H3;4*4-8,14H,1-3H3;4*3-7,14H,1-2H3;2*4-7H,1-3H3,(H,13,14);3-8,13H,1-2H3;2*3-6H,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12,13)
InChIKeyHZPPBLYKTZYVSY-UHFFFAOYSA-N
MW3606.89 g/mol
LogP50.20
Rot. Bonds41

About 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one

1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one (PubChem CID 158634582) has the molecular formula C203H222Cl6N26O23 and a molecular weight of 3606.89 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one
PubChem CID158634582
Molecular FormulaC203H222Cl6N26O23
Molecular Weight3606.89 g/mol
Exact Mass3601.51
IUPAC Name1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc2c(Cl)cccc2[nH]1.CC(C)C(=O)c1cc2cc(Cl)ccc2[nH]1.CC(C)C(=O)c1cc2ccc(Cl)cc2[nH]1.CC(C)C(=O)c1cc2cccc(Cl)c2[nH]1.CC(C)C(=O)c1cc2ccccc2[nH]1.CC(C)C(=O)c1nc2c(Cl)cccc2[nH]1.CC(C)C(=O)c1nc2ccc(Cl)cc2[nH]1.CC(C)C(=O)c1nc2ccccc2[nH]1.CC(C)C(=O)c1nc2ccncc2[nH]1.CC(C)C(=O)c1nc2ncccc2[nH]1.CCc1cccc2[nH]c(C(=O)C(C)C)cc12.COc1ccc2[nH]c(C(=O)C(C)C)cc2c1.COc1ccc2cc(C(=O)C(C)C)[nH]c2c1.COc1cccc2[nH]c(C(=O)C(C)C)cc12.COc1cccc2[nH]c(C(=O)C(C)C)nc12.COc1cccc2[nH]c(C(=O)C(C)C)nc12.COc1cccc2cc(C(=O)C(C)C)[nH]c12
InChIInChI=1S/C14H17NO.4C13H15NO2.4C12H12ClNO.2C12H14N2O2.C12H13NO.2C11H11ClN2O.C11H12N2O.2C10H11N3O/c1-4-10-6-5-7-12-11(10)8-13(15-12)14(16)9(2)3;1-8(2)13(15)12-7-9-6-10(16-3)4-5-11(9)14-12;1-8(2)13(15)12-6-9-4-5-10(16-3)7-11(9)14-12;1-8(2)13(15)11-7-9-10(14-11)5-4-6-12(9)16-3;1-8(2)13(15)10-7-9-5-4-6-11(16-3)12(9)14-10;1-7(2)12(15)11-6-8-5-9(13)3-4-10(8)14-11;1-7(2)12(15)11-5-8-3-4-9(13)6-10(8)14-11;1-7(2)12(15)11-6-8-9(13)4-3-5-10(8)14-11;1-7(2)12(15)10-6-8-4-3-5-9(13)11(8)14-10;2*1-7(2)11(15)12-13-8-5-4-6-9(16-3)10(8)14-12;1-8(2)12(14)11-7-9-5-3-4-6-10(9)13-11;1-6(2)10(15)11-13-8-4-3-7(12)5-9(8)14-11;1-6(2)10(15)11-13-8-5-3-4-7(12)9(8)14-11;1-7(2)10(14)11-12-8-5-3-4-6-9(8)13-11;1-6(2)9(14)10-12-7-3-4-11-5-8(7)13-10;1-6(2)8(14)10-12-7-4-3-5-11-9(7)13-10/h5-9,15H,4H2,1-3H3;4*4-8,14H,1-3H3;4*3-7,14H,1-2H3;2*4-7H,1-3H3,(H,13,14);3-8,13H,1-2H3;2*3-6H,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12,13)
InChIKeyHZPPBLYKTZYVSY-UHFFFAOYSA-N
XLogP50.20
TPSA730.01 Ų
H-Bond Donors17
H-Bond Acceptors32
Rotatable Bonds41
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003606.89
LogP ≤ 550.20
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1032

Analyze 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one (CID 158634582) is 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc2c(Cl)cccc2[nH]1.CC(C)C(=O)c1cc2cc(Cl)ccc2[nH]1.CC(C)C(=O)c1cc2ccc(Cl)cc2[nH]1.CC(C)C(=O)c1cc2cccc(Cl)c2[nH]1.CC(C)C(=O)c1cc2ccccc2[nH]1.CC(C)C(=O)c1nc2c(Cl)cccc2[nH]1.CC(C)C(=O)c1nc2ccc(Cl)cc2[nH]1.CC(C)C(=O)c1nc2ccccc2[nH]1.CC(C)C(=O)c1nc2ccncc2[nH]1.CC(C)C(=O)c1nc2ncccc2[nH]1.CCc1cccc2[nH]c(C(=O)C(C)C)cc12.COc1ccc2[nH]c(C(=O)C(C)C)cc2c1.COc1ccc2cc(C(=O)C(C)C)[nH]c2c1.COc1cccc2[nH]c(C(=O)C(C)C)cc12.COc1cccc2[nH]c(C(=O)C(C)C)nc12.COc1cccc2[nH]c(C(=O)C(C)C)nc12.COc1cccc2cc(C(=O)C(C)C)[nH]c12.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one?
The InChIKey is HZPPBLYKTZYVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO.4C13H15NO2.4C12H12ClNO.2C12H14N2O2.C12H13NO.2C11H11ClN2O.C11H12N2O.2C10H11N3O/c1-4-10-6-5-7-12-11(10)8-13(15-12)14(16)9(2)3;1-8(2)13(15)12-7-9-6-10(16-3)4-5-11(9)14-12;1-8(2)13(15)12-6-9-4-5-10(16-3)7-11(9)14-12;1-8(2)13(15)11-7-9-10(14-11)5-4-6-12(9)16-3;1-8(2)13(15)10-7-9-5-4-6-11(16-3)12(9)14-10;1-7(2)12(15)11-6-8-5-9(13)3-4-10(8)14-11;1-7(2)12(15)11-5-8-3-4-9(13)6-10(8)14-11;1-7(2)12(15)11-6-8-9(13)4-3-5-10(8)14-11;1-7(2)12(15)10-6-8-4-3-5-9(13)11(8)14-10;2*1-7(2)11(15)12-13-8-5-4-6-9(16-3)10(8)14-12;1-8(2)12(14)11-7-9-5-3-4-6-10(9)13-11;1-6(2)10(15)11-13-8-4-3-7(12)5-9(8)14-11;1-6(2)10(15)11-13-8-5-3-4-7(12)9(8)14-11;1-7(2)10(14)11-12-8-5-3-4-6-9(8)13-11;1-6(2)9(14)10-12-7-3-4-11-5-8(7)13-10;1-6(2)8(14)10-12-7-4-3-5-11-9(7)13-10/h5-9,15H,4H2,1-3H3;4*4-8,14H,1-3H3;4*3-7,14H,1-2H3;2*4-7H,1-3H3,(H,13,14);3-8,13H,1-2H3;2*3-6H,1-2H3,(H,13,14);3-7H,1-2H3,(H,12,13);3-6H,1-2H3,(H,12,13);3-6H,1-2H3,(H,11,12,13).
What are the key properties of 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one?
1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one has a molecular weight of 3606.89 g/mol, XLogP of 50.20, 41 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-benzimidazol-2-yl)-2-methylpropan-1-one;1-(4-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-chloro-1H-indol-2-yl)-2-methylpropan-1-one;1-(4-ethyl-1H-indol-2-yl)-2-methylpropan-1-one;1-(1H-imidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-one;1-(3H-imidazo[4,5-c]pyridin-2-yl)-2-methylpropan-1-one;1-(1H-indol-2-yl)-2-methylpropan-1-one;bis(1-(4-methoxy-1H-benzimidazol-2-yl)-2-methylpropan-1-one);1-(4-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(5-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(6-methoxy-1H-indol-2-yl)-2-methylpropan-1-one;1-(7-methoxy-1H-indol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 158634582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).