3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C15H18N2O2 — CID 81455425

IUPAC3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCc1cccc2nc(C3C(C(=O)O)C3(C)C)n(C)c12
InChIInChI=1S/C15H18N2O2/c1-8-6-5-7-9-12(8)17(4)13(16-9)10-11(14(18)19)15(10,2)3/h5-7,10-11H,1-4H3,(H,18,19)
InChIKeyLAOZAGCFGVKZBF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds2

About 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 81455425) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID81455425
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCc1cccc2nc(C3C(C(=O)O)C3(C)C)n(C)c12
InChIInChI=1S/C15H18N2O2/c1-8-6-5-7-9-12(8)17(4)13(16-9)10-11(14(18)19)15(10,2)3/h5-7,10-11H,1-4H3,(H,18,19)
InChIKeyLAOZAGCFGVKZBF-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 81455425) is 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is Cc1cccc2nc(C3C(C(=O)O)C3(C)C)n(C)c12.
What is the InChIKey of 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is LAOZAGCFGVKZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-8-6-5-7-9-12(8)17(4)13(16-9)10-11(14(18)19)15(10,2)3/h5-7,10-11H,1-4H3,(H,18,19).
What are the key properties of 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 81455425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).