3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide

C19H17N5O — CID 31409989

IUPAC3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17N5O/c25-19(10-9-18-22-16-3-1-2-4-17(16)23-18)21-14-5-7-15(8-6-14)24-12-11-20-13-24/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23)
InChIKeyQVMPIUOGPAKEMF-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.32
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide (PubChem CID 31409989) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
PubChem CID31409989
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17N5O/c25-19(10-9-18-22-16-3-1-2-4-17(16)23-18)21-14-5-7-15(8-6-14)24-12-11-20-13-24/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23)
InChIKeyQVMPIUOGPAKEMF-UHFFFAOYSA-N
XLogP3.32
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
CID 18811132
3-(1H-benzimidazol-2-yl)-N-[4-(diethylamino)phenyl]propanamide
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3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
N-(1H-benzimidazol-2-ylmethyl)-2-(4-imidazol-1-ylanilino)-1,3-thiazole-4-carboxamide
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CID 44773909
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
CID 43229181
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CID 37193450
3-(1H-benzimidazol-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 37162962
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
3-(1H-benzimidazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 18145579
N-[3-[3-(1H-benzimidazol-2-yl)propanoylamino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46468409
2-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]benzoic acid
CID 56762074

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide (CID 31409989) is 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
The InChIKey is QVMPIUOGPAKEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c25-19(10-9-18-22-16-3-1-2-4-17(16)23-18)21-14-5-7-15(8-6-14)24-12-11-20-13-24/h1-8,11-13H,9-10H2,(H,21,25)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide has a molecular weight of 331.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(4-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 31409989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).