7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol

C169H197Cl5N24O5S — CID 161358961

IUPAC7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol
SMILESCC(C)c1cc(Cl)c2[nH]ccc2c1.CC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(O)c2[nH]ccc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.Cc1[nH]nc2c(Cl)cc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C11H13ClN2.C11H12ClNO.C11H12ClN.4C11H14N2.C11H13NO.C11H13N.C10H11ClN2.C10H10ClNO.2C10H12N2.2C10H11NO.C10H11NS/c1-6(2)8-4-9-7(3)13-14-11(9)10(12)5-8;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-7(2)9-5-8-3-4-13-11(8)10(12)6-9;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-12-11(8)10(13)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-6H,1-3H3,(H,13,14);3-6,13-14H,1-2H3;3-7,13H,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);3-6H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyVOXNKLBWDIZKDP-UHFFFAOYSA-N
MW2853.93 g/mol
LogP50.85
Rot. Bonds16

About 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol

7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol (PubChem CID 161358961) has the molecular formula C169H197Cl5N24O5S and a molecular weight of 2853.93 g/mol. Its IUPAC name is 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol.

Molecular Properties

Compound Name7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol
PubChem CID161358961
Molecular FormulaC169H197Cl5N24O5S
Molecular Weight2853.93 g/mol
Exact Mass2849.41
IUPAC Name7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol
SMILESCC(C)c1cc(Cl)c2[nH]ccc2c1.CC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(O)c2[nH]ccc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.Cc1[nH]nc2c(Cl)cc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2[nH]1
InChIInChI=1S/C11H13ClN2.C11H12ClNO.C11H12ClN.4C11H14N2.C11H13NO.C11H13N.C10H11ClN2.C10H10ClNO.2C10H12N2.2C10H11NO.C10H11NS/c1-6(2)8-4-9-7(3)13-14-11(9)10(12)5-8;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-7(2)9-5-8-3-4-13-11(8)10(12)6-9;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-12-11(8)10(13)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-6H,1-3H3,(H,13,14);3-6,13-14H,1-2H3;3-7,13H,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);3-6H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3
InChIKeyVOXNKLBWDIZKDP-UHFFFAOYSA-N
XLogP50.85
TPSA413.18 Ų
H-Bond Donors13
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms204
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002853.93
LogP ≤ 550.85
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1019

Analyze 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol?
The IUPAC name of 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol (CID 161358961) is 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol.
What is the SMILES notation for 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol?
The canonical SMILES for 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol is CC(C)c1cc(Cl)c2[nH]ccc2c1.CC(C)c1cc(Cl)c2[nH]ncc2c1.CC(C)c1cc(Cl)c2ncoc2c1.CC(C)c1cc(O)c2[nH]ccc2c1.CC(C)c1cc(O)c2cc(Cl)[nH]c2c1.CC(C)c1ccc2[nH]ccc2c1.CC(C)c1ccc2[nH]ncc2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncn(C)c2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ocnc2c1.Cc1[nH]nc2c(Cl)cc(C(C)C)cc12.Cc1[nH]nc2ccc(C(C)C)cc12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1nc2ccc(C(C)C)cc2[nH]1.
What is the InChIKey of 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol?
The InChIKey is VOXNKLBWDIZKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.C11H12ClNO.C11H12ClN.4C11H14N2.C11H13NO.C11H13N.C10H11ClN2.C10H10ClNO.2C10H12N2.2C10H11NO.C10H11NS/c1-6(2)8-4-9-7(3)13-14-11(9)10(12)5-8;1-6(2)7-3-9-8(10(14)4-7)5-11(12)13-9;1-7(2)9-5-8-3-4-13-11(8)10(12)6-9;1-7(2)9-4-8(3)11-10(5-9)6-12-13-11;1-8(2)9-4-5-10-11(6-9)13(3)7-12-10;1-7(2)9-4-5-11-10(6-9)8(3)12-13-11;1-7(2)9-4-5-10-11(6-9)13-8(3)12-10;1-7(2)9-5-8-3-4-12-11(8)10(13)6-9;1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-6(2)7-3-8-5-12-13-10(8)9(11)4-7;1-6(2)7-3-8(11)10-9(4-7)13-5-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9/h4-6H,1-3H3,(H,13,14);3-6,13-14H,1-2H3;3-7,13H,1-2H3;4-7H,1-3H3,(H,12,13);4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);3-7,12-13H,1-2H3;3-8,12H,1-2H3;3-6H,1-2H3,(H,12,13);3-6H,1-2H3;2*3-7H,1-2H3,(H,11,12);3*3-7H,1-2H3.
What are the key properties of 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol?
7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol has a molecular weight of 2853.93 g/mol, XLogP of 50.85, 16 rotatable bonds, 13 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-methyl-5-propan-2-yl-2H-indazole;4-chloro-6-propan-2-yl-1,3-benzoxazole;7-chloro-5-propan-2-yl-1H-indazole;7-chloro-5-propan-2-yl-1H-indole;2-chloro-6-propan-2-yl-1H-indol-4-ol;1-methyl-6-propan-2-ylbenzimidazole;2-methyl-6-propan-2-yl-1H-benzimidazole;3-methyl-5-propan-2-yl-2H-indazole;7-methyl-5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;5-propan-2-yl-1H-indol-7-ol is sourced from PubChem (CID 161358961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).