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

C25H22ClN3O3 — CID 46765943

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C25H22ClN3O3/c1-17-27-13-14-29(17)16-18-7-9-19(10-8-18)25(30)28-21-15-20(26)11-12-22(21)32-24-6-4-3-5-23(24)31-2/h3-15H,16H2,1-2H3,(H,28,30)
InChIKeyPWWHHCKZKRKINC-UHFFFAOYSA-N
MW447.92 g/mol
LogP5.95
Rot. Bonds7

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

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 46765943) has the molecular formula C25H22ClN3O3 and a molecular weight of 447.92 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID46765943
Molecular FormulaC25H22ClN3O3
Molecular Weight447.92 g/mol
Exact Mass447.13
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C25H22ClN3O3/c1-17-27-13-14-29(17)16-18-7-9-19(10-8-18)25(30)28-21-15-20(26)11-12-22(21)32-24-6-4-3-5-23(24)31-2/h3-15H,16H2,1-2H3,(H,28,30)
InChIKeyPWWHHCKZKRKINC-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

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Related Compounds

N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 100587627
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010
methyl 4-chloro-3-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzoate
CID 43925127
N-(3,4-dimethylphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43919290
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 22283032
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-methoxyacetamide
CID 100616707
4-cyclopentyloxy-3-methoxy-N-[4-[(2-methylimidazol-1-yl)methyl]phenyl]benzamide
CID 56506249
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
4-[(2-methylimidazol-1-yl)methyl]-N-(4-phenylmethoxyphenyl)benzamide
CID 43922241
N-[2-(azepane-1-carbonyl)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 43925512
N-[(2R)-butan-2-yl]-2-[[4-[(2-methylimidazol-1-yl)methyl]benzoyl]amino]benzamide
CID 93492375
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736273

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 46765943) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is PWWHHCKZKRKINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O3/c1-17-27-13-14-29(17)16-18-7-9-19(10-8-18)25(30)28-21-15-20(26)11-12-22(21)32-24-6-4-3-5-23(24)31-2/h3-15H,16H2,1-2H3,(H,28,30).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-[5-chloro-2-(2-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-(2-methoxyphenoxy)phenyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 46765943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).