3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide

C20H19N5O — CID 75442044

IUPAC3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H19N5O/c26-20(9-11-24-15-23-17-6-2-4-8-19(17)24)22-13-16-5-1-3-7-18(16)25-12-10-21-14-25/h1-8,10,12,14-15H,9,11,13H2,(H,22,26)
InChIKeyWJXAKRVQHQAJKF-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.93
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide

3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide (PubChem CID 75442044) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
PubChem CID75442044
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C20H19N5O/c26-20(9-11-24-15-23-17-6-2-4-8-19(17)24)22-13-16-5-1-3-7-18(16)25-12-10-21-14-25/h1-8,10,12,14-15H,9,11,13H2,(H,22,26)
InChIKeyWJXAKRVQHQAJKF-UHFFFAOYSA-N
XLogP2.93
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
3-(benzimidazol-1-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
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2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
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N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
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N-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methylpiperidin-2-yl)propanamide
CID 72874428
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
4-(2,4-dichlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]butanamide
CID 52740396
N-[(2-imidazol-1-ylphenyl)methyl]thiadiazole-4-carboxamide
CID 84595607
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide (CID 75442044) is 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide is O=C(CCn1cnc2ccccc21)NCc1ccccc1-n1ccnc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide?
The InChIKey is WJXAKRVQHQAJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(9-11-24-15-23-17-6-2-4-8-19(17)24)22-13-16-5-1-3-7-18(16)25-12-10-21-14-25/h1-8,10,12,14-15H,9,11,13H2,(H,22,26).
What are the key properties of 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide?
3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide has a molecular weight of 345.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide is sourced from PubChem (CID 75442044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).