6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

C17H12FN5O2 — CID 154794509

IUPAC6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H12FN5O2/c18-10-5-12(16-14(6-10)19-8-20-16)17(25)21-11-3-1-9(2-4-11)13-7-15(24)23-22-13/h1-8H,(H,19,20)(H,21,25)(H2,22,23,24)
InChIKeyZRRNRYSZQCMDKA-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.64
Rot. Bonds3

About 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 154794509) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID154794509
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C17H12FN5O2/c18-10-5-12(16-14(6-10)19-8-20-16)17(25)21-11-3-1-9(2-4-11)13-7-15(24)23-22-13/h1-8H,(H,19,20)(H,21,25)(H2,22,23,24)
InChIKeyZRRNRYSZQCMDKA-UHFFFAOYSA-N
XLogP2.64
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-1H-benzimidazole-4-carboxamide
CID 110700914
2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
CID 91645207
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]propanamide
CID 60756455
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107
3-bromo-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]thiophene-2-carboxamide
CID 60967049
2-amino-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62786999
6-fluoro-N-piperidin-4-yl-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119385720
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119525306
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118
6-fluoro-N-(7-oxoazepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 138036120

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide (CID 154794509) is 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1ccc(-c2cc(=O)[nH][nH]2)cc1)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is ZRRNRYSZQCMDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c18-10-5-12(16-14(6-10)19-8-20-16)17(25)21-11-3-1-9(2-4-11)13-7-15(24)23-22-13/h1-8H,(H,19,20)(H,21,25)(H2,22,23,24).
What are the key properties of 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 154794509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).