3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid

C14H17ClN2O2 — CID 84642739

IUPAC3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
SMILESCc1c(Cl)ccc2nc(CC(C)(C)C(=O)O)n(C)c12
InChIInChI=1S/C14H17ClN2O2/c1-8-9(15)5-6-10-12(8)17(4)11(16-10)7-14(2,3)13(18)19/h5-6H,7H2,1-4H3,(H,18,19)
InChIKeyRHPZZPLPRDOBSC-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.19
Rot. Bonds3

About 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid

3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid (PubChem CID 84642739) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
PubChem CID84642739
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
SMILESCc1c(Cl)ccc2nc(CC(C)(C)C(=O)O)n(C)c12
InChIInChI=1S/C14H17ClN2O2/c1-8-9(15)5-6-10-12(8)17(4)11(16-10)7-14(2,3)13(18)19/h5-6H,7H2,1-4H3,(H,18,19)
InChIKeyRHPZZPLPRDOBSC-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic 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-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
CID 84624653
3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84645356
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
(E)-3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)prop-2-enoic acid
CID 84634044
N-[(6-chloro-1,7-dimethylbenzimidazol-2-yl)methyl]-2-methylpropan-1-amine
CID 112741115
2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)propanoic acid
CID 79753577
2,2-dimethyl-3-(1,4,6-trimethylbenzimidazol-2-yl)propanoic acid
CID 84638251
4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
CID 112741051
3-(6-chloro-2,3-dihydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117363746
3-(6-chloro-2-hydroxy-3-methoxyphenyl)-2,2-dimethylpropanoic acid
CID 117400359
(E)-3-(6-chloro-7-methyl-1-propan-2-ylbenzimidazol-2-yl)prop-2-enoic acid
CID 84642469
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-methylbutanoic acid
CID 62933636

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid (CID 84642739) is 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid is Cc1c(Cl)ccc2nc(CC(C)(C)C(=O)O)n(C)c12.
What is the InChIKey of 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
The InChIKey is RHPZZPLPRDOBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-8-9(15)5-6-10-12(8)17(4)11(16-10)7-14(2,3)13(18)19/h5-6H,7H2,1-4H3,(H,18,19).
What are the key properties of 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid?
3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid has a molecular weight of 280.75 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 84642739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).