N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide

C18H15N5O — CID 42110942

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C18H15N5O/c1-23-11-10-16(22-23)18(24)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)21-17/h2-11H,1H3,(H,19,24)(H,20,21)
InChIKeyZRWJIWXFPAYKCZ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.22
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 42110942) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID42110942
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1
InChIInChI=1S/C18H15N5O/c1-23-11-10-16(22-23)18(24)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)21-17/h2-11H,1H3,(H,19,24)(H,20,21)
InChIKeyZRWJIWXFPAYKCZ-UHFFFAOYSA-N
XLogP3.22
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 46339370
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CID 2479214
N-[4-(1H-benzimidazol-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46628844
N-[4-(1H-benzimidazol-2-yl)phenyl]-2,2,2-trichloroacetamide
CID 1348553
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-fluoro-5-(1-methylpyrazol-4-yl)benzamide
CID 166207622
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
1-(4-acetylphenyl)-3-[4-(1H-benzimidazol-2-yl)phenyl]thiourea
CID 2393320
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-nitrobenzamide
CID 3584641
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26264601

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide (CID 42110942) is N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is ZRWJIWXFPAYKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-23-11-10-16(22-23)18(24)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)21-17/h2-11H,1H3,(H,19,24)(H,20,21).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 3.22, 3 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]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 42110942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).