3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide

C18H19N3O — CID 34166297

IUPAC3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-14-5-4-6-15(11-14)12-19-18(22)9-10-21-13-20-16-7-2-3-8-17(16)21/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)
InChIKeySQMMWPLKVASHGT-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.05
Rot. Bonds5

About 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 34166297) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID34166297
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)CCn2cnc3ccccc32)c1
InChIInChI=1S/C18H19N3O/c1-14-5-4-6-15(11-14)12-19-18(22)9-10-21-13-20-16-7-2-3-8-17(16)21/h2-8,11,13H,9-10,12H2,1H3,(H,19,22)
InChIKeySQMMWPLKVASHGT-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
CID 51277131
3-(benzimidazol-1-yl)-N-[(5,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 131919105
3-(benzimidazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 25349690
4-amino-N-[[3-(benzimidazol-1-ylmethyl)phenyl]methyl]butanamide
CID 119862887
3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004748
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 36838359
3-(benzimidazol-1-yl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]propanamide
CID 131929542
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-(benzimidazol-1-yl)-N-[2-(methylamino)propyl]propanamide
CID 120827403
3-(benzimidazol-1-yl)-N'-[2-(3,5-dimethylphenoxy)acetyl]propanehydrazide
CID 36848593

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide (CID 34166297) is 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)CCn2cnc3ccccc32)c1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is SQMMWPLKVASHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14-5-4-6-15(11-14)12-19-18(22)9-10-21-13-20-16-7-2-3-8-17(16)21/h2-8,11,13H,9-10,12H2,1H3,(H,19,22).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 34166297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).