N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide

C19H18ClN3O — CID 110445434

IUPACN-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
SMILESCC(C)(NC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-19(2,15-5-7-16(20)8-6-15)22-18(24)14-3-9-17(10-4-14)23-12-11-21-13-23/h3-13H,1-2H3,(H,22,24)
InChIKeyVDYGMNYXEQPTQR-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.19
Rot. Bonds4

About N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide

N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide (PubChem CID 110445434) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
PubChem CID110445434
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide
SMILESCC(C)(NC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-19(2,15-5-7-16(20)8-6-15)22-18(24)14-3-9-17(10-4-14)23-12-11-21-13-23/h3-13H,1-2H3,(H,22,24)
InChIKeyVDYGMNYXEQPTQR-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
1-(4-chlorophenyl)-3-(4-imidazol-1-ylphenyl)urea
CID 87013033
N-(1-amino-2,3-dimethylbutan-2-yl)-4-imidazol-1-ylbenzamide;dihydrochloride
CID 119607123
4-tert-butyl-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]benzamide
CID 47007350
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
(E)-3-(4-tert-butylphenyl)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-one
CID 19541225
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
4-chloro-N-(4-imidazol-1-ylphenyl)benzenesulfonamide
CID 110867679
N-[(E)-hydroxyiminomethyl]-4-imidazol-1-ylbenzamide
CID 135478140
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
N-(2,6-dimethylphenyl)-4-imidazol-1-ylbenzamide;hydrochloride
CID 23044294

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide (CID 110445434) is N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide is CC(C)(NC(=O)c1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide?
The InChIKey is VDYGMNYXEQPTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-19(2,15-5-7-16(20)8-6-15)22-18(24)14-3-9-17(10-4-14)23-12-11-21-13-23/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide?
N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide has a molecular weight of 339.83 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propan-2-yl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 110445434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).