N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide

C23H27N3O — CID 46290730

IUPACN-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
SMILESCc1ccc2nc(CCc3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-16-7-13-20-21(15-16)26-22(25-20)14-10-17-8-11-19(12-9-17)24-23(27)18-5-3-2-4-6-18/h7-9,11-13,15,18H,2-6,10,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyWXHPZTDFXVVPJQ-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.18
Rot. Bonds5

About N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide

N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 46290730) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
PubChem CID46290730
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
SMILESCc1ccc2nc(CCc3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1
InChIInChI=1S/C23H27N3O/c1-16-7-13-20-21(15-16)26-22(25-20)14-10-17-8-11-19(12-9-17)24-23(27)18-5-3-2-4-6-18/h7-9,11-13,15,18H,2-6,10,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyWXHPZTDFXVVPJQ-UHFFFAOYSA-N
XLogP5.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-phenylacetamide
CID 46290758
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-oxochromene-3-carboxamide
CID 20930875
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
1-(3,5-dimethylphenyl)-3-[2-[2-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]urea
CID 155114131
N-[4-(2-bromoethyl)phenyl]cycloheptanecarboxamide
CID 114310257

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide (CID 46290730) is N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide is Cc1ccc2nc(CCc3ccc(NC(=O)C4CCCCC4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is WXHPZTDFXVVPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-16-7-13-20-21(15-16)26-22(25-20)14-10-17-8-11-19(12-9-17)24-23(27)18-5-3-2-4-6-18/h7-9,11-13,15,18H,2-6,10,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 46290730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).