4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide

C24H29N3O — CID 57312430

IUPAC4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide
SMILESCCC(c1ccc(C(=O)NCC2CCCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29N3O/c1-2-20(23-26-21-10-6-7-11-22(21)27-23)18-12-14-19(15-13-18)24(28)25-16-17-8-4-3-5-9-17/h6-7,10-15,17,20H,2-5,8-9,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyTUTOBCPFPDKDDB-UHFFFAOYSA-N
MW375.52 g/mol
LogP5.41
Rot. Bonds6

About 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide

4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide (PubChem CID 57312430) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide.

Molecular Properties

Compound Name4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide
PubChem CID57312430
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide
SMILESCCC(c1ccc(C(=O)NCC2CCCCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H29N3O/c1-2-20(23-26-21-10-6-7-11-22(21)27-23)18-12-14-19(15-13-18)24(28)25-16-17-8-4-3-5-9-17/h6-7,10-15,17,20H,2-5,8-9,16H2,1H3,(H,25,28)(H,26,27)
InChIKeyTUTOBCPFPDKDDB-UHFFFAOYSA-N
XLogP5.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.52
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-(cyclohexylmethyl)ethanamine
CID 60665119
N-(cyclohexylmethyl)-2-[[3-[4-[[[2-(2-hydroxy-1-phenylethyl)-3H-benzimidazole-5-carbonyl]amino]methyl]cycloheptyl]oxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 167106864
N-(cyclohexylmethyl)-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2574060
[(1R)-1-(1H-benzimidazol-2-yl)ethyl] cyclohexanecarboxylate
CID 1079144
1-(1H-benzimidazol-2-yl)ethyl cyclohexanecarboxylate
CID 3152016
N-[[1-(1H-benzimidazole-2-carbonyl)piperidin-4-yl]methyl]pyridazine-4-carboxamide
CID 131904491
2-(difluoromethyl)-N-(oxan-3-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 138998345
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
4-chloro-N-(cyclohexylmethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142229210
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 18116519
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-[(2S,3R)-1-(cyclohexylmethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
CID 30785525

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide?
The IUPAC name of 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide (CID 57312430) is 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide.
What is the SMILES notation for 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide?
The canonical SMILES for 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide is CCC(c1ccc(C(=O)NCC2CCCCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide?
The InChIKey is TUTOBCPFPDKDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-2-20(23-26-21-10-6-7-11-22(21)27-23)18-12-14-19(15-13-18)24(28)25-16-17-8-4-3-5-9-17/h6-7,10-15,17,20H,2-5,8-9,16H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide?
4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide has a molecular weight of 375.52 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-benzimidazol-2-yl)propyl]-N-(cyclohexylmethyl)benzamide is sourced from PubChem (CID 57312430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).