N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride

C18H18ClN3O — CID 23044294

IUPACN-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)c1ccc(-n2ccnc2)cc1.Cl
InChIInChI=1S/C18H17N3O.ClH/c1-13-4-3-5-14(2)17(13)20-18(22)15-6-8-16(9-7-15)21-11-10-19-12-21;/h3-12H,1-2H3,(H,20,22);1H
InChIKeyTXYCDYUDRPIREE-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.16
Rot. Bonds3

About N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride

N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride (PubChem CID 23044294) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
PubChem CID23044294
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC NameN-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)c1ccc(-n2ccnc2)cc1.Cl
InChIInChI=1S/C18H17N3O.ClH/c1-13-4-3-5-14(2)17(13)20-18(22)15-6-8-16(9-7-15)21-11-10-19-12-21;/h3-12H,1-2H3,(H,20,22);1H
InChIKeyTXYCDYUDRPIREE-UHFFFAOYSA-N
XLogP4.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110756385
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4-imidazol-1-yl-N-(6-methoxy-3-pyridinyl)benzamide
CID 31532934
N-(4-imidazol-1-ylphenyl)acetamide
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N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-4-imidazol-1-ylbenzamide
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[2-(2-methylanilino)-2-oxoethyl] 4-imidazol-1-ylbenzoate
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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride (CID 23044294) is N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride is Cc1cccc(C)c1NC(=O)c1ccc(-n2ccnc2)cc1.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride?
The InChIKey is TXYCDYUDRPIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O.ClH/c1-13-4-3-5-14(2)17(13)20-18(22)15-6-8-16(9-7-15)21-11-10-19-12-21;/h3-12H,1-2H3,(H,20,22);1H.
What are the key properties of N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride?
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride has a molecular weight of 327.82 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 23044294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).