N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide

C24H29N3O — CID 92695155

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide
SMILESCc1cc(C)cc(-n2cnc3cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1
InChIInChI=1S/C24H29N3O/c1-15-10-16(2)12-20(11-15)27-14-25-22-13-19(8-9-23(22)27)24(28)26-21-7-5-6-17(3)18(21)4/h8-14,17-18,21H,5-7H2,1-4H3,(H,26,28)/t17-,18-,21-/m1/s1
InChIKeyGMLMCKNEROXXLE-DBXWQHBBSA-N
MW375.52 g/mol
LogP5.20
Rot. Bonds3

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide (PubChem CID 92695155) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide
PubChem CID92695155
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide
SMILESCc1cc(C)cc(-n2cnc3cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1
InChIInChI=1S/C24H29N3O/c1-15-10-16(2)12-20(11-15)27-14-25-22-13-19(8-9-23(22)27)24(28)26-21-7-5-6-17(3)18(21)4/h8-14,17-18,21H,5-7H2,1-4H3,(H,26,28)/t17-,18-,21-/m1/s1
InChIKeyGMLMCKNEROXXLE-DBXWQHBBSA-N
XLogP5.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide (CID 92695155) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide is Cc1cc(C)cc(-n2cnc3cc(C(=O)N[C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide?
The InChIKey is GMLMCKNEROXXLE-DBXWQHBBSA-N. The full InChI is InChI=1S/C24H29N3O/c1-15-10-16(2)12-20(11-15)27-14-25-22-13-19(8-9-23(22)27)24(28)26-21-7-5-6-17(3)18(21)4/h8-14,17-18,21H,5-7H2,1-4H3,(H,26,28)/t17-,18-,21-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide has a molecular weight of 375.52 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-1-(3,5-dimethylphenyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 92695155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).