N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide

C20H19N5O — CID 46339370

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C20H19N5O/c1-14-10-12-25(24-14)13-11-19(26)21-16-8-6-15(7-9-16)20-22-17-4-2-3-5-18(17)23-20/h2-10,12H,11,13H2,1H3,(H,21,26)(H,22,23)
InChIKeyOVKNLZPSPHBJRP-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.76
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 46339370) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID46339370
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C20H19N5O/c1-14-10-12-25(24-14)13-11-19(26)21-16-8-6-15(7-9-16)20-22-17-4-2-3-5-18(17)23-20/h2-10,12H,11,13H2,1H3,(H,21,26)(H,22,23)
InChIKeyOVKNLZPSPHBJRP-UHFFFAOYSA-N
XLogP3.76
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-(4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339386
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
CID 42110942
methyl 5-[4-(1H-benzimidazol-2-yl)anilino]-5-oxopentanoate
CID 118717470
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 43021407
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 163329363
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylphenoxy)propanamide
CID 17296614
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-methylphenoxy)acetamide
CID 1369927
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 34050635
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 46339370) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is OVKNLZPSPHBJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14-10-12-25(24-14)13-11-19(26)21-16-8-6-15(7-9-16)20-22-17-4-2-3-5-18(17)23-20/h2-10,12H,11,13H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 345.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46339370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).