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

C19H22ClN3O — CID 146052827

IUPACN-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1C.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-4-5-18(23)20-16-11-14(8-7-13(16)3)19-21-15-9-6-12(2)10-17(15)22-19;/h6-11H,4-5H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeySKXNTGURBZGGAG-UHFFFAOYSA-N
MW343.86 g/mol
LogP5.01
Rot. Bonds4

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

N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride (PubChem CID 146052827) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
PubChem CID146052827
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC NameN-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1C.Cl
InChIInChI=1S/C19H21N3O.ClH/c1-4-5-18(23)20-16-11-14(8-7-13(16)3)19-21-15-9-6-12(2)10-17(15)22-19;/h6-11H,4-5H2,1-3H3,(H,20,23)(H,21,22);1H
InChIKeySKXNTGURBZGGAG-UHFFFAOYSA-N
XLogP5.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.86
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
CID 163329469
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
CID 146052843
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-4-oxopentanamide
CID 90145481
N-(2,5-dimethylphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131255
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2,4-dimethylbenzamide
CID 1290892
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
CID 17297236
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
2-(2,5-dimethylphenoxy)-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]acetamide
CID 5108771
N-(6-methyl-1H-indol-3-yl)butanamide
CID 175196130
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride?
The IUPAC name of N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride (CID 146052827) is N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride?
The canonical SMILES for N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride is CCCC(=O)Nc1cc(-c2nc3ccc(C)cc3[nH]2)ccc1C.Cl.
What is the InChIKey of N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride?
The InChIKey is SKXNTGURBZGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O.ClH/c1-4-5-18(23)20-16-11-14(8-7-13(16)3)19-21-15-9-6-12(2)10-17(15)22-19;/h6-11H,4-5H2,1-3H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride?
N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 146052827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).