N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide

C15H12FN3O — CID 110469160

IUPACN-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C15H12FN3O/c1-19-9-17-13-7-2-10(8-14(13)19)15(20)18-12-5-3-11(16)4-6-12/h2-9H,1H3,(H,18,20)
InChIKeyPENJWJVBLMJTCM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.96
Rot. Bonds2

About N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide

N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide (PubChem CID 110469160) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
PubChem CID110469160
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
SMILESCn1cnc2ccc(C(=O)Nc3ccc(F)cc3)cc21
InChIInChI=1S/C15H12FN3O/c1-19-9-17-13-7-2-10(8-14(13)19)15(20)18-12-5-3-11(16)4-6-12/h2-9H,1H3,(H,18,20)
InChIKeyPENJWJVBLMJTCM-UHFFFAOYSA-N
XLogP2.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469182
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
CID 110469115
3-bromo-2,5-difluoro-N-(3-methylbenzimidazol-5-yl)benzamide
CID 146094132
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
3-methylbenzimidazole-5-carboxamide
CID 21105052
N-(1-methylbenzimidazol-5-yl)-4-(trifluoromethyl)benzamide
CID 110728545
1-methyl-N-(4-pyrrolidin-1-ylphenyl)benzimidazole-5-carboxamide
CID 110692640
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
N-(4-butylphenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775922

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide (CID 110469160) is N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide is Cn1cnc2ccc(C(=O)Nc3ccc(F)cc3)cc21.
What is the InChIKey of N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is PENJWJVBLMJTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c1-19-9-17-13-7-2-10(8-14(13)19)15(20)18-12-5-3-11(16)4-6-12/h2-9H,1H3,(H,18,20).
What are the key properties of N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide?
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 269.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110469160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).