N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

C25H22ClN3O3 — CID 100587627

IUPACN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3C)cc2)c1
InChIInChI=1S/C25H22ClN3O3/c1-17-27-12-13-29(17)16-18-6-8-19(9-7-18)25(30)28-23-14-20(26)10-11-24(23)32-22-5-3-4-21(15-22)31-2/h3-15H,16H2,1-2H3,(H,28,30)
InChIKeyVJWQMRGLZKOYOC-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.95
Rot. Bonds7

About N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 100587627) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID100587627
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCOc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3C)cc2)c1
InChIInChI=1S/C25H22ClN3O3/c1-17-27-12-13-29(17)16-18-6-8-19(9-7-18)25(30)28-23-14-20(26)10-11-24(23)32-22-5-3-4-21(15-22)31-2/h3-15H,16H2,1-2H3,(H,28,30)
InChIKeyVJWQMRGLZKOYOC-UHFFFAOYSA-N
XLogP5.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46765943
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273
N-(3-acetamidophenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925818
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-(4-fluorophenyl)propanamide
CID 100573365
6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 100587627) is N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3C)cc2)c1.
What is the InChIKey of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is VJWQMRGLZKOYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-17-27-12-13-29(17)16-18-6-8-19(9-7-18)25(30)28-23-14-20(26)10-11-24(23)32-22-5-3-4-21(15-22)31-2/h3-15H,16H2,1-2H3,(H,28,30).
What are the key properties of N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 447.92 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 100587627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).