4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid

C16H23N3O2 — CID 63106183

IUPAC4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
SMILESCCc1nc2ccccc2n1CCC(NC(C)C)C(=O)O
InChIInChI=1S/C16H23N3O2/c1-4-15-18-12-7-5-6-8-14(12)19(15)10-9-13(16(20)21)17-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,20,21)
InChIKeyWUTIMYXSMCBCCG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.44
Rot. Bonds7

About 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid

4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid (PubChem CID 63106183) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
PubChem CID63106183
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid
SMILESCCc1nc2ccccc2n1CCC(NC(C)C)C(=O)O
InChIInChI=1S/C16H23N3O2/c1-4-15-18-12-7-5-6-8-14(12)19(15)10-9-13(16(20)21)17-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,20,21)
InChIKeyWUTIMYXSMCBCCG-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic 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

6-(2-ethylbenzimidazol-1-yl)hexan-2-amine
CID 63107097
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802
(2S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366771
3-methyl-1-(1-propylbenzimidazol-2-yl)hexan-2-one
CID 115781923
2-ethoxy-3-(2-ethylbenzimidazol-1-yl)propanoic acid
CID 63107309
1,7-bis(2-ethylbenzimidazol-1-yl)heptan-4-one
CID 139073818
3-(2-ethylbenzimidazol-1-yl)-N-methylsulfonylpropanamide
CID 154814647
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
2-(2-ethylbenzimidazol-1-yl)-N-methylethanamine
CID 53211283
5-amino-3-methyl-1-(1-propylbenzimidazol-2-yl)pentan-2-one
CID 116595070
N-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-phenylpropanamide
CID 16970595

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid (CID 63106183) is 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid is CCc1nc2ccccc2n1CCC(NC(C)C)C(=O)O.
What is the InChIKey of 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid?
The InChIKey is WUTIMYXSMCBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-15-18-12-7-5-6-8-14(12)19(15)10-9-13(16(20)21)17-11(2)3/h5-8,11,13,17H,4,9-10H2,1-3H3,(H,20,21).
What are the key properties of 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid?
4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid has a molecular weight of 289.38 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylbenzimidazol-1-yl)-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63106183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).