3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

C17H22N2O2 — CID 64836668

IUPAC3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-16(2,3)19-11-9-7-6-8-10(11)18-14(19)12-13(15(20)21)17(12,4)5/h6-9,12-13H,1-5H3,(H,20,21)
InChIKeyUUUSBPNSKBLJIM-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.62
Rot. Bonds2

About 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64836668) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64836668
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1nc2ccccc2n1C(C)(C)C
InChIInChI=1S/C17H22N2O2/c1-16(2,3)19-11-9-7-6-8-10(11)18-14(19)12-13(15(20)21)17(12,4)5/h6-9,12-13H,1-5H3,(H,20,21)
InChIKeyUUUSBPNSKBLJIM-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-3-(1-propylbenzimidazol-2-yl)cyclopropane-1-carboxylic acid
CID 64836666
3-(1-tert-butylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
CID 103551605
3-(1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 81455425
1-tert-butyl-2-(2-fluoropropan-2-yl)benzimidazole
CID 20728113
3-(1-tert-butylbenzimidazol-2-yl)propanoic acid
CID 43142589
1-tert-butyl-2-pyrrolidin-3-ylbenzimidazole
CID 63030439
2,2-dimethyl-3-(4-oxo-3H-quinazolin-2-yl)cyclopropane-1-carboxylic acid
CID 135636624
5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
CID 43446748
N-(1-tert-butylbenzimidazol-2-yl)-4,4-dimethylpent-2-enamide
CID 72689962
2-[2-(ethylamino)benzimidazol-1-yl]-2-methylpropanoic acid
CID 82359602
2-methyl-2-(2-propan-2-ylbenzimidazol-1-yl)propanoic acid
CID 82144552
N-(1-tert-butylbenzimidazol-2-yl)-5-methylpyrazine-2-carboxamide
CID 51093633

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64836668) is 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1c1nc2ccccc2n1C(C)(C)C.
What is the InChIKey of 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is UUUSBPNSKBLJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-16(2,3)19-11-9-7-6-8-10(11)18-14(19)12-13(15(20)21)17(12,4)5/h6-9,12-13H,1-5H3,(H,20,21).
What are the key properties of 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylbenzimidazol-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64836668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).