N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide

C21H16FN3O — CID 17100747

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C21H16FN3O/c1-13-9-10-14(20-23-17-7-2-3-8-18(17)24-20)12-19(13)25-21(26)15-5-4-6-16(22)11-15/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyMDAAUAIYPGUCQM-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.93
Rot. Bonds3

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide (PubChem CID 17100747) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
PubChem CID17100747
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(F)c1
InChIInChI=1S/C21H16FN3O/c1-13-9-10-14(20-23-17-7-2-3-8-18(17)24-20)12-19(13)25-21(26)15-5-4-6-16(22)11-15/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyMDAAUAIYPGUCQM-UHFFFAOYSA-N
XLogP4.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
CID 1213621
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3-iodobenzamide
CID 17116708
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
CID 146052843
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 2173445
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide (CID 17100747) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(F)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide?
The InChIKey is MDAAUAIYPGUCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-13-9-10-14(20-23-17-7-2-3-8-18(17)24-20)12-19(13)25-21(26)15-5-4-6-16(22)11-15/h2-12H,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide has a molecular weight of 345.38 g/mol, XLogP of 4.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide is sourced from PubChem (CID 17100747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).