N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide

C24H18ClN3O2 — CID 38101764

IUPACN-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C24H18ClN3O2/c25-20-10-11-22(21(14-20)23(29)18-4-2-1-3-5-18)27-24(30)19-8-6-17(7-9-19)15-28-13-12-26-16-28/h1-14,16H,15H2,(H,27,30)
InChIKeySYWVEKPTTWFCGB-UHFFFAOYSA-N
MW415.88 g/mol
LogP5.07
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide

N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 38101764) has the molecular formula C24H18ClN3O2 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID38101764
Molecular FormulaC24H18ClN3O2
Molecular Weight415.88 g/mol
Exact Mass415.11
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C24H18ClN3O2/c25-20-10-11-22(21(14-20)23(29)18-4-2-1-3-5-18)27-24(30)19-8-6-17(7-9-19)15-28-13-12-26-16-28/h1-14,16H,15H2,(H,27,30)
InChIKeySYWVEKPTTWFCGB-UHFFFAOYSA-N
XLogP5.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.88
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38104555
N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43921399
2-(4-chlorobenzoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 37423336
N-(2-benzoyl-4-chlorophenyl)-4-ethylsulfanylbenzamide
CID 41044373
3-benzamido-N-(2-benzoyl-4-chlorophenyl)-4-methylbenzamide
CID 17226391
N-(2-benzoyl-4-chlorophenyl)-4-(dimethylamino)benzamide
CID 3539532
N-(2-benzoyl-4-chlorophenyl)-2-methylpyrazole-3-carboxamide
CID 19475558
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-dibenzofuran-3-yl-4-(imidazol-1-ylmethyl)benzamide
CID 94867844
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide (CID 38101764) is N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide is O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is SYWVEKPTTWFCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2/c25-20-10-11-22(21(14-20)23(29)18-4-2-1-3-5-18)27-24(30)19-8-6-17(7-9-19)15-28-13-12-26-16-28/h1-14,16H,15H2,(H,27,30).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 415.88 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 38101764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).