2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride

C22H19ClFN3O — CID 146052843

IUPAC2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
SMILESCc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)[nH]c2c1.Cl
InChIInChI=1S/C22H18FN3O.ClH/c1-13-7-10-18-20(11-13)25-21(24-18)15-9-8-14(2)19(12-15)26-22(27)16-5-3-4-6-17(16)23;/h3-12H,1-2H3,(H,24,25)(H,26,27);1H
InChIKeyVDUYPZZHJLZTGX-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.66
Rot. Bonds3

About 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride

2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride (PubChem CID 146052843) has the molecular formula C22H19ClFN3O and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
PubChem CID146052843
Molecular FormulaC22H19ClFN3O
Molecular Weight395.87 g/mol
Exact Mass395.12
IUPAC Name2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
SMILESCc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)[nH]c2c1.Cl
InChIInChI=1S/C22H18FN3O.ClH/c1-13-7-10-18-20(11-13)25-21(24-18)15-9-8-14(2)19(12-15)26-22(27)16-5-3-4-6-17(16)23;/h3-12H,1-2H3,(H,24,25)(H,26,27);1H
InChIKeyVDUYPZZHJLZTGX-UHFFFAOYSA-N
XLogP5.66
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
CID 146052811
N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
CID 146052827
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809
2-fluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
CID 1474151
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
2-fluoro-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 16765362
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride?
The IUPAC name of 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride (CID 146052843) is 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride is Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4F)c3)[nH]c2c1.Cl.
What is the InChIKey of 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride?
The InChIKey is VDUYPZZHJLZTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O.ClH/c1-13-7-10-18-20(11-13)25-21(24-18)15-9-8-14(2)19(12-15)26-22(27)16-5-3-4-6-17(16)23;/h3-12H,1-2H3,(H,24,25)(H,26,27);1H.
What are the key properties of 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride?
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride has a molecular weight of 395.87 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride is sourced from PubChem (CID 146052843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).