N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride

C22H20ClN3O2 — CID 146052811

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.Cl
InChIInChI=1S/C22H19N3O2.ClH/c1-14-11-12-15(21-23-17-8-4-5-9-18(17)24-21)13-19(14)25-22(26)16-7-3-6-10-20(16)27-2;/h3-13H,1-2H3,(H,23,24)(H,25,26);1H
InChIKeyMCZRMGKXFGGOSP-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.22
Rot. Bonds4

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride (PubChem CID 146052811) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
PubChem CID146052811
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.Cl
InChIInChI=1S/C22H19N3O2.ClH/c1-14-11-12-15(21-23-17-8-4-5-9-18(17)24-21)13-19(14)25-22(26)16-7-3-6-10-20(16)27-2;/h3-13H,1-2H3,(H,23,24)(H,25,26);1H
InChIKeyMCZRMGKXFGGOSP-UHFFFAOYSA-N
XLogP5.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1492388
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
CID 146052843
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-nitrobenzamide
CID 17093072
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-fluorobenzamide
CID 17100747
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]pyrazine-2-carboxamide
CID 1448569
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 2173445

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride (CID 146052811) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride is COc1ccccc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is MCZRMGKXFGGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2.ClH/c1-14-11-12-15(21-23-17-8-4-5-9-18(17)24-21)13-19(14)25-22(26)16-7-3-6-10-20(16)27-2;/h3-13H,1-2H3,(H,23,24)(H,25,26);1H.
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 146052811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).