2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid

C15H20N2O2 — CID 84638251

IUPAC2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
SMILESCc1cc(C)c2nc(CC(C)(C)C(=O)O)n(C)c2c1
InChIInChI=1S/C15H20N2O2/c1-9-6-10(2)13-11(7-9)17(5)12(16-13)8-15(3,4)14(18)19/h6-7H,8H2,1-5H3,(H,18,19)
InChIKeyOLAVCDLXUJJAMX-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.84
Rot. Bonds3

About 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid

2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid (PubChem CID 84638251) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
PubChem CID84638251
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
SMILESCc1cc(C)c2nc(CC(C)(C)C(=O)O)n(C)c2c1
InChIInChI=1S/C15H20N2O2/c1-9-6-10(2)13-11(7-9)17(5)12(16-13)8-15(3,4)14(18)19/h6-7H,8H2,1-5H3,(H,18,19)
InChIKeyOLAVCDLXUJJAMX-UHFFFAOYSA-N
XLogP2.84
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic 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

1,2,4,6-tetramethylbenzimidazole
CID 58565379
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
2,4-dichloro-3-[(1,4,6-trimethylbenzimidazol-2-yl)methyl]benzoic acid
CID 145203620
3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84642739
2-(2,3,5,7-tetramethylimidazo[1,2-a]benzimidazol-1-yl)acetic acid
CID 84641648
3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84645356
3-(5-bromo-1-methylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117195254
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
lithium 5-(2,4,6-trimethylbenzimidazol-1-yl)pentanoate
CID 165382455
(4-bromo-1,6-dimethylbenzimidazol-2-yl)methanamine
CID 84635115
(6-chloro-1,4-dimethylbenzimidazol-2-yl)methanamine
CID 84621320
(1,2,6-trimethylbenzimidazol-4-yl)methanol
CID 155004907

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid (CID 84638251) is 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid is Cc1cc(C)c2nc(CC(C)(C)C(=O)O)n(C)c2c1.
What is the InChIKey of 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid?
The InChIKey is OLAVCDLXUJJAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-6-10(2)13-11(7-9)17(5)12(16-13)8-15(3,4)14(18)19/h6-7H,8H2,1-5H3,(H,18,19).
What are the key properties of 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid?
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid has a molecular weight of 260.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid is sourced from PubChem (CID 84638251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).