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

C18H20ClN3O — CID 163329469

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-3-6-17(22)19-16-11-13(10-9-12(16)2)18-20-14-7-4-5-8-15(14)21-18;/h4-5,7-11H,3,6H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyCWSPNVNMTICCDE-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.70
Rot. Bonds4

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

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride (PubChem CID 163329469) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
PubChem CID163329469
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride
SMILESCCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.Cl
InChIInChI=1S/C18H19N3O.ClH/c1-3-6-17(22)19-16-11-13(10-9-12(16)2)18-20-14-7-4-5-8-15(14)21-18;/h4-5,7-11H,3,6H2,1-2H3,(H,19,22)(H,20,21);1H
InChIKeyCWSPNVNMTICCDE-UHFFFAOYSA-N
XLogP4.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]butanamide;hydrochloride
CID 146052827
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
N-[4-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-chloroacetamide
CID 57195475
2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
CID 3916771
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
(Z)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-phenylprop-2-enamide
CID 2173445
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
CID 46785986
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
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-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride (CID 163329469) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride is CCCC(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C.Cl.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride?
The InChIKey is CWSPNVNMTICCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O.ClH/c1-3-6-17(22)19-16-11-13(10-9-12(16)2)18-20-14-7-4-5-8-15(14)21-18;/h4-5,7-11H,3,6H2,1-2H3,(H,19,22)(H,20,21);1H.
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]butanamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 4.70, 4 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]butanamide;hydrochloride is sourced from PubChem (CID 163329469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).