N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide

C24H27N3O2 — CID 134039594

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCCc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-19-8-10-21(11-9-19)22(28)12-13-24(29)26-15-14-23-25-16-17-27(23)18-20-6-4-3-5-7-20/h3-11,16-17H,2,12-15,18H2,1H3,(H,26,29)
InChIKeyRUZQKXCJJYCQFC-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.82
Rot. Bonds10

About N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide

N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide (PubChem CID 134039594) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
PubChem CID134039594
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide
SMILESCCc1ccc(C(=O)CCC(=O)NCCc2nccn2Cc2ccccc2)cc1
InChIInChI=1S/C24H27N3O2/c1-2-19-8-10-21(11-9-19)22(28)12-13-24(29)26-15-14-23-25-16-17-27(23)18-20-6-4-3-5-7-20/h3-11,16-17H,2,12-15,18H2,1H3,(H,26,29)
InChIKeyRUZQKXCJJYCQFC-UHFFFAOYSA-N
XLogP3.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide 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-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[4-[2-(1-benzylimidazol-2-yl)ethylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 134039836
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 134027600
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 134027637
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134039804
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(4-fluorophenyl)sulfanylpropanamide
CID 134039558
N-[2-(1-benzylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 134039749
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 134027438
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
(1-benzylimidazol-2-yl)methyl 3-(4-ethylphenyl)propanoate
CID 78858610
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86839804
N-[2-(1-benzylimidazol-2-yl)ethyl]furan-2-carboxamide
CID 134039640

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide (CID 134039594) is N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide is CCc1ccc(C(=O)CCC(=O)NCCc2nccn2Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide?
The InChIKey is RUZQKXCJJYCQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-2-19-8-10-21(11-9-19)22(28)12-13-24(29)26-15-14-23-25-16-17-27(23)18-20-6-4-3-5-7-20/h3-11,16-17H,2,12-15,18H2,1H3,(H,26,29).
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide?
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide has a molecular weight of 389.50 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(4-ethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 134039594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).