2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid

C24H27N3O4 — CID 23436203

IUPAC2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(OCCn2ccnc2)cc1-c1ccccc1)C(=O)O
InChIInChI=1S/C24H27N3O4/c1-17(2)14-22(24(29)30)26-23(28)20-9-8-19(31-13-12-27-11-10-25-16-27)15-21(20)18-6-4-3-5-7-18/h3-11,15-17,22H,12-14H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyCNHFDLPFXKHRKU-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.86
Rot. Bonds10

About 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid

2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid (PubChem CID 23436203) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid
PubChem CID23436203
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1ccc(OCCn2ccnc2)cc1-c1ccccc1)C(=O)O
InChIInChI=1S/C24H27N3O4/c1-17(2)14-22(24(29)30)26-23(28)20-9-8-19(31-13-12-27-11-10-25-16-27)15-21(20)18-6-4-3-5-7-18/h3-11,15-17,22H,12-14H2,1-2H3,(H,26,28)(H,29,30)
InChIKeyCNHFDLPFXKHRKU-UHFFFAOYSA-N
XLogP3.86
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid 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

(2R)-2-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]-4-methylpentanoic acid
CID 119363020
2-fluoro-4-(2-imidazol-1-ylethoxy)benzoic acid
CID 104651233
(2S)-2-[[2-(4-fluorophenyl)-4-[1-(4-fluorophenyl)-2-imidazol-1-ylethoxy]benzoyl]amino]-5,5-dimethyl-4-methylsulfanylhexanoic acid
CID 70210704
(2R)-4-methyl-2-[(4-phenyl-1H-pyrrole-3-carbonyl)amino]pentanoic acid
CID 119363334
2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylpentanoic acid
CID 87356089
(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-4-methylpentanoic acid
CID 7530166
3-ethyl-4-[4-(2-imidazol-1-ylethoxy)phenyl]phenol
CID 137341712
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methoxybenzamide
CID 47045466
N-[3-(2-imidazol-1-ylethoxy)phenyl]-2-methyl-5-phenylpentanamide
CID 166200337
2-[[4-(2-imidazol-1-ylethyl)-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 23436413
methyl 2-[2-[[3-(2-imidazol-1-ylethoxy)phenyl]carbamoyl]phenyl]sulfanylpropanoate
CID 167881794
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid (CID 23436203) is 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1ccc(OCCn2ccnc2)cc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid?
The InChIKey is CNHFDLPFXKHRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17(2)14-22(24(29)30)26-23(28)20-9-8-19(31-13-12-27-11-10-25-16-27)15-21(20)18-6-4-3-5-7-18/h3-11,15-17,22H,12-14H2,1-2H3,(H,26,28)(H,29,30).
What are the key properties of 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid?
2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid has a molecular weight of 421.50 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-imidazol-1-ylethoxy)-2-phenylbenzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23436203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).