3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole

C109H140N12O5 — CID 159943241

IUPAC3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole
SMILESC=C1Cc2cc(C(C)C)cc(C)c2N1.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2c1NC(=O)CC2.Cc1cc(C(C)C)cc2c1NC(=O)CC2.Cc1cc(C(C)C)cc2c1[nH]c(=O)n2C.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12
InChIInChI=1S/2C13H17NO.C13H17N.C12H16N2O.2C12H15NO.C12H15N.2C11H14N2/c2*1-8(2)11-6-9(3)13-10(7-11)4-5-12(15)14-13;1-8(2)11-5-9(3)13-12(7-11)6-10(4)14-13;1-7(2)9-5-8(3)11-10(6-9)14(4)12(15)13-11;2*1-7(2)9-4-8(3)12-10(5-9)6-11(14)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;2*1-7(2)9-4-8(3)11-10(5-9)6-12-13-11/h2*6-8H,4-5H2,1-3H3,(H,14,15);5,7-8,14H,4,6H2,1-3H3;5-7H,1-4H3,(H,13,15);2*4-5,7H,6H2,1-3H3,(H,13,14);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyOBDUQKXEOAMQHB-UHFFFAOYSA-N
MW1698.40 g/mol
LogP26.72
Rot. Bonds9

About 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole

3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole (PubChem CID 159943241) has the molecular formula C109H140N12O5 and a molecular weight of 1698.40 g/mol. Its IUPAC name is 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole.

Molecular Properties

Compound Name3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole
PubChem CID159943241
Molecular FormulaC109H140N12O5
Molecular Weight1698.40 g/mol
Exact Mass1697.11
IUPAC Name3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole
SMILESC=C1Cc2cc(C(C)C)cc(C)c2N1.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2c1NC(=O)CC2.Cc1cc(C(C)C)cc2c1NC(=O)CC2.Cc1cc(C(C)C)cc2c1[nH]c(=O)n2C.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12
InChIInChI=1S/2C13H17NO.C13H17N.C12H16N2O.2C12H15NO.C12H15N.2C11H14N2/c2*1-8(2)11-6-9(3)13-10(7-11)4-5-12(15)14-13;1-8(2)11-5-9(3)13-12(7-11)6-10(4)14-13;1-7(2)9-5-8(3)11-10(6-9)14(4)12(15)13-11;2*1-7(2)9-4-8(3)12-10(5-9)6-11(14)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;2*1-7(2)9-4-8(3)11-10(5-9)6-12-13-11/h2*6-8H,4-5H2,1-3H3,(H,14,15);5,7-8,14H,4,6H2,1-3H3;5-7H,1-4H3,(H,13,15);2*4-5,7H,6H2,1-3H3,(H,13,14);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyOBDUQKXEOAMQHB-UHFFFAOYSA-N
XLogP26.72
TPSA239.37 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001698.40
LogP ≤ 526.72
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Analyze 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
The IUPAC name of 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole (CID 159943241) is 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole.
What is the SMILES notation for 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
The canonical SMILES for 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole is C=C1Cc2cc(C(C)C)cc(C)c2N1.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2c1NC(=O)C2.Cc1cc(C(C)C)cc2c1NC(=O)CC2.Cc1cc(C(C)C)cc2c1NC(=O)CC2.Cc1cc(C(C)C)cc2c1[nH]c(=O)n2C.Cc1cc(C(C)C)cc2cc[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.Cc1cc(C(C)C)cc2cn[nH]c12.
What is the InChIKey of 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
The InChIKey is OBDUQKXEOAMQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17NO.C13H17N.C12H16N2O.2C12H15NO.C12H15N.2C11H14N2/c2*1-8(2)11-6-9(3)13-10(7-11)4-5-12(15)14-13;1-8(2)11-5-9(3)13-12(7-11)6-10(4)14-13;1-7(2)9-5-8(3)11-10(6-9)14(4)12(15)13-11;2*1-7(2)9-4-8(3)12-10(5-9)6-11(14)13-12;1-8(2)11-6-9(3)12-10(7-11)4-5-13-12;2*1-7(2)9-4-8(3)11-10(5-9)6-12-13-11/h2*6-8H,4-5H2,1-3H3,(H,14,15);5,7-8,14H,4,6H2,1-3H3;5-7H,1-4H3,(H,13,15);2*4-5,7H,6H2,1-3H3,(H,13,14);4-8,13H,1-3H3;2*4-7H,1-3H3,(H,12,13).
What are the key properties of 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole?
3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole has a molecular weight of 1698.40 g/mol, XLogP of 26.72, 9 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-5-propan-2-yl-1H-benzimidazol-2-one;7-methyl-2-methylidene-5-propan-2-yl-1,3-dihydroindole;bis(7-methyl-5-propan-2-yl-1,3-dihydroindol-2-one);bis(8-methyl-6-propan-2-yl-3,4-dihydro-1H-quinolin-2-one);bis(7-methyl-5-propan-2-yl-1H-indazole);7-methyl-5-propan-2-yl-1H-indole is sourced from PubChem (CID 159943241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).