4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide

C23H25N3O2 — CID 25334647

IUPAC4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C23H25N3O2/c1-16-9-10-17(2)19(15-16)20(27)11-12-21(28)25-22(18-7-5-4-6-8-18)23-24-13-14-26(23)3/h4-10,13-15,22H,11-12H2,1-3H3,(H,25,28)/t22-/m1/s1
InChIKeyBYXDSCBPUAFCNY-JOCHJYFZSA-N
MW375.47 g/mol
LogP3.91
Rot. Bonds7

About 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide

4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide (PubChem CID 25334647) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
PubChem CID25334647
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1
InChIInChI=1S/C23H25N3O2/c1-16-9-10-17(2)19(15-16)20(27)11-12-21(28)25-22(18-7-5-4-6-8-18)23-24-13-14-26(23)3/h4-10,13-15,22H,11-12H2,1-3H3,(H,25,28)/t22-/m1/s1
InChIKeyBYXDSCBPUAFCNY-JOCHJYFZSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-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

4-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 134024637
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
2-(2-chloro-5-methylphenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25325555
2-(2-bromo-4-methylphenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25366977
4-(5-chlorothiophen-2-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 42937336
tert-butyl N-[3-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxopropyl]carbamate
CID 46533040
4-(2,5-dimethylthiophen-3-yl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 51334338
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
3-(2,4-dimethylphenyl)-N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25339891

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide (CID 25334647) is 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)N[C@H](c2ccccc2)c2nccn2C)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide?
The InChIKey is BYXDSCBPUAFCNY-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-9-10-17(2)19(15-16)20(27)11-12-21(28)25-22(18-7-5-4-6-8-18)23-24-13-14-26(23)3/h4-10,13-15,22H,11-12H2,1-3H3,(H,25,28)/t22-/m1/s1.
What are the key properties of 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide?
4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide has a molecular weight of 375.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide is sourced from PubChem (CID 25334647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).