N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide

C21H25N3O — CID 4754944

IUPACN-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C21H25N3O/c1-3-6-21(25)22-14-13-20-23-18-7-4-5-8-19(18)24(20)15-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,22,25)
InChIKeyCDAGDLLLBSFAFT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.85
Rot. Bonds7

About N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide

N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide (PubChem CID 4754944) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
PubChem CID4754944
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
SMILESCCCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C21H25N3O/c1-3-6-21(25)22-14-13-20-23-18-7-4-5-8-19(18)24(20)15-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,22,25)
InChIKeyCDAGDLLLBSFAFT-UHFFFAOYSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
N-[2-[1-[2-(4-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 17030383
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157
N-[2-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974505
2-ethyl-N-[3-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 16980992
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 16974552
N-[2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]ethyl]butanamide
CID 17030370
N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974507

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The IUPAC name of N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide (CID 4754944) is N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide.
What is the SMILES notation for N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The canonical SMILES for N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide is CCCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1.
What is the InChIKey of N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
The InChIKey is CDAGDLLLBSFAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-3-6-21(25)22-14-13-20-23-18-7-4-5-8-19(18)24(20)15-17-11-9-16(2)10-12-17/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide?
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide has a molecular weight of 335.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide is sourced from PubChem (CID 4754944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).