N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide

C18H16ClN3O2 — CID 43922042

IUPACN-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-24-17-7-6-15(10-16(17)19)21-18(23)14-4-2-13(3-5-14)11-22-9-8-20-12-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyQMAMBHNSWIUKGH-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.85
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide

N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 43922042) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
PubChem CID43922042
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl
InChIInChI=1S/C18H16ClN3O2/c1-24-17-7-6-15(10-16(17)19)21-18(23)14-4-2-13(3-5-14)11-22-9-8-20-12-22/h2-10,12H,11H2,1H3,(H,21,23)
InChIKeyQMAMBHNSWIUKGH-UHFFFAOYSA-N
XLogP3.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[4-(imidazol-1-ylmethyl)benzoyl]amino]-4-methoxybenzoate
CID 100539709
N-(3-chloro-4-methoxyphenyl)-4-ethylbenzamide
CID 2540642
N-(3-acetylphenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43924465
N-[3-(butanoylamino)phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 87041023
N-(2,4-dichlorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 38104555
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-4-[(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46341582
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
N-(3-chloro-4-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]benzamide
CID 43922033
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86991062
4-(imidazol-1-ylmethyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 55719023

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide (CID 43922042) is N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide is COc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is QMAMBHNSWIUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-24-17-7-6-15(10-16(17)19)21-18(23)14-4-2-13(3-5-14)11-22-9-8-20-12-22/h2-10,12H,11H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide?
N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 341.80 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 43922042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).