2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide

C21H23N3O — CID 110711140

IUPAC2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCc2cn(-c3ccccc3)c(C)n2)c1
InChIInChI=1S/C21H23N3O/c1-16-7-6-8-18(13-16)14-21(25)22-12-11-19-15-24(17(2)23-19)20-9-4-3-5-10-20/h3-10,13,15H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyOJJQQKBYIUTFAH-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.39
Rot. Bonds6

About 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide

2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide (PubChem CID 110711140) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
PubChem CID110711140
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
SMILESCc1cccc(CC(=O)NCCc2cn(-c3ccccc3)c(C)n2)c1
InChIInChI=1S/C21H23N3O/c1-16-7-6-8-18(13-16)14-21(25)22-12-11-19-15-24(17(2)23-19)20-9-4-3-5-10-20/h3-10,13,15H,11-12,14H2,1-2H3,(H,22,25)
InChIKeyOJJQQKBYIUTFAH-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide
CID 110711147
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
N-[2-(6-chloroimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(3-methylphenyl)propanamide
CID 110672012
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 90570906
N-[2-(4-fluorophenyl)ethyl]-2-(3-methylphenyl)acetamide
CID 6468714
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
11-(2-methyl-1-phenylimidazol-4-yl)undecanoic acid
CID 69479442
14-(2-methyl-1-phenylimidazol-4-yl)tetradecanoic acid
CID 69480323
17-(2-methyl-1-phenylimidazol-4-yl)heptadecanoic acid
CID 69479264
N-[2-(3-methylphenyl)ethyl]-2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)acetamide
CID 53036810
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
2-(3-methylphenyl)-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110662740

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide (CID 110711140) is 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide is Cc1cccc(CC(=O)NCCc2cn(-c3ccccc3)c(C)n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide?
The InChIKey is OJJQQKBYIUTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-7-6-8-18(13-16)14-21(25)22-12-11-19-15-24(17(2)23-19)20-9-4-3-5-10-20/h3-10,13,15H,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide?
2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-[2-(2-methyl-1-phenylimidazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 110711140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).