6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide

C19H16FN5O — CID 75519838

IUPAC6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCn1cc(CNC(=O)c2cc(F)cc3[nH]cnc23)c(-c2ccccc2)n1
InChIInChI=1S/C19H16FN5O/c1-25-10-13(17(24-25)12-5-3-2-4-6-12)9-21-19(26)15-7-14(20)8-16-18(15)23-11-22-16/h2-8,10-11H,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyLSZXDKCCPRXJKG-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.03
Rot. Bonds4

About 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide

6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide (PubChem CID 75519838) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
PubChem CID75519838
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
SMILESCn1cc(CNC(=O)c2cc(F)cc3[nH]cnc23)c(-c2ccccc2)n1
InChIInChI=1S/C19H16FN5O/c1-25-10-13(17(24-25)12-5-3-2-4-6-12)9-21-19(26)15-7-14(20)8-16-18(15)23-11-22-16/h2-8,10-11H,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyLSZXDKCCPRXJKG-UHFFFAOYSA-N
XLogP3.03
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
CID 91645207
(2R)-2-(4-fluorophenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]butanamide
CID 99716294
5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 138041845
4-fluoro-3-[[(1-methyl-3-phenylpyrazol-4-yl)methylamino]methyl]benzoic acid
CID 166226863
4-[(1-methyl-3-phenylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 122009577
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 115991489
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
1-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-3-(2-pyridin-2-ylethyl)urea
CID 75501790
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-nitrobenzamide
CID 24516164
1-cyclobutyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 136564835

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide (CID 75519838) is 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide is Cn1cc(CNC(=O)c2cc(F)cc3[nH]cnc23)c(-c2ccccc2)n1.
What is the InChIKey of 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is LSZXDKCCPRXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O/c1-25-10-13(17(24-25)12-5-3-2-4-6-12)9-21-19(26)15-7-14(20)8-16-18(15)23-11-22-16/h2-8,10-11H,9H2,1H3,(H,21,26)(H,22,23).
What are the key properties of 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide?
6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 75519838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).