1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine

C58H66N8O3 — CID 158188381

IUPAC1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CCN)cc1C.Cc1ccc(CCNC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1C.O=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
InChIInChI=1S/C29H32N4O.C19H19N3O2.C10H15N/c1-20-11-12-22(18-21(20)2)15-17-31-29(34)23-13-14-27-26(19-23)32-28(25-10-6-7-16-30-25)33(27)24-8-4-3-5-9-24;23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14;1-8-3-4-10(5-6-11)7-9(8)2/h6-7,10-14,16,18-19,24H,3-5,8-9,15,17H2,1-2H3,(H,31,34);4-5,8-12,14H,1-3,6-7H2,(H,23,24);3-4,7H,5-6,11H2,1-2H3
InChIKeyFZKUNTZWQBEFKP-UHFFFAOYSA-N
MW923.22 g/mol
LogP12.30
Rot. Bonds11

About 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine

1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine (PubChem CID 158188381) has the molecular formula C58H66N8O3 and a molecular weight of 923.22 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine
PubChem CID158188381
Molecular FormulaC58H66N8O3
Molecular Weight923.22 g/mol
Exact Mass922.53
IUPAC Name1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine
SMILESCc1ccc(CCN)cc1C.Cc1ccc(CCNC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1C.O=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1
InChIInChI=1S/C29H32N4O.C19H19N3O2.C10H15N/c1-20-11-12-22(18-21(20)2)15-17-31-29(34)23-13-14-27-26(19-23)32-28(25-10-6-7-16-30-25)33(27)24-8-4-3-5-9-24;23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14;1-8-3-4-10(5-6-11)7-9(8)2/h6-7,10-14,16,18-19,24H,3-5,8-9,15,17H2,1-2H3,(H,31,34);4-5,8-12,14H,1-3,6-7H2,(H,23,24);3-4,7H,5-6,11H2,1-2H3
InChIKeyFZKUNTZWQBEFKP-UHFFFAOYSA-N
XLogP12.30
TPSA153.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.22
LogP ≤ 512.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine (CID 158188381) is 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine is Cc1ccc(CCN)cc1C.Cc1ccc(CCNC(=O)c2ccc3c(c2)nc(-c2ccccn2)n3C2CCCCC2)cc1C.O=C(O)c1ccc2c(c1)nc(-c1ccccn1)n2C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is FZKUNTZWQBEFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O.C19H19N3O2.C10H15N/c1-20-11-12-22(18-21(20)2)15-17-31-29(34)23-13-14-27-26(19-23)32-28(25-10-6-7-16-30-25)33(27)24-8-4-3-5-9-24;23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14;1-8-3-4-10(5-6-11)7-9(8)2/h6-7,10-14,16,18-19,24H,3-5,8-9,15,17H2,1-2H3,(H,31,34);4-5,8-12,14H,1-3,6-7H2,(H,23,24);3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine?
1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 923.22 g/mol, XLogP of 12.30, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(3,4-dimethylphenyl)ethyl]-2-pyridin-2-ylbenzimidazole-5-carboxamide;1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid;2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 158188381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).