3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

C20H20ClN3O — CID 100589500

IUPAC3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O/c1-15-22-12-13-24(15)19-9-4-17(5-10-19)14-23-20(25)11-6-16-2-7-18(21)8-3-16/h2-5,7-10,12-13H,6,11,14H2,1H3,(H,23,25)
InChIKeyNXVOKNHZAJUUDV-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.08
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (PubChem CID 100589500) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
PubChem CID100589500
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCc1nccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H20ClN3O/c1-15-22-12-13-24(15)19-9-4-17(5-10-19)14-23-20(25)11-6-16-2-7-18(21)8-3-16/h2-5,7-10,12-13H,6,11,14H2,1H3,(H,23,25)
InChIKeyNXVOKNHZAJUUDV-UHFFFAOYSA-N
XLogP4.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 100632169
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92650949
2-(3,5-dimethylphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92682720
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(4-methylphenyl)propanamide
CID 99953800
3-(3,4-dichlorophenyl)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 100595725
3-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 100590839
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43902073
2-(3,4-dimethoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 92680069
2-[(4R)-2,5-dioxoimidazolidin-4-yl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 99948662
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]butanamide
CID 92650798
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 46772194

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (CID 100589500) is 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is Cc1nccn1-c1ccc(CNC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is NXVOKNHZAJUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-15-22-12-13-24(15)19-9-4-17(5-10-19)14-23-20(25)11-6-16-2-7-18(21)8-3-16/h2-5,7-10,12-13H,6,11,14H2,1H3,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 353.85 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 100589500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).