N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide

C17H13Cl2N3O — CID 38104555

IUPACN-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H13Cl2N3O/c18-14-5-6-16(15(19)9-14)21-17(23)13-3-1-12(2-4-13)10-22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23)
InChIKeyQBTLHZOPUFEXAK-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.49
Rot. Bonds4

About N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide

N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 38104555) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID38104555
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC NameN-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C17H13Cl2N3O/c18-14-5-6-16(15(19)9-14)21-17(23)13-3-1-12(2-4-13)10-22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23)
InChIKeyQBTLHZOPUFEXAK-UHFFFAOYSA-N
XLogP4.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38101764
N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43921399
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922042
methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-(2,4-dichlorophenyl)-4-(morpholin-4-ylmethyl)benzamide
CID 27825531
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-tert-butyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918479
4-(imidazol-1-ylmethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]benzamide
CID 166201634
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55719646
N-(2,4-dichlorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92646467
4-(imidazol-1-ylmethyl)benzoate
CID 42555847

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide (CID 38104555) is N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide is O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is QBTLHZOPUFEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/c18-14-5-6-16(15(19)9-14)21-17(23)13-3-1-12(2-4-13)10-22-8-7-20-11-22/h1-9,11H,10H2,(H,21,23).
What are the key properties of N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 346.22 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 38104555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).