2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid

C17H22N2O2 — CID 103979426

IUPAC2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCc1ccc2c(c1)nc(C1CCCC1C(=O)O)n2C(C)C
InChIInChI=1S/C17H22N2O2/c1-10(2)19-15-8-7-11(3)9-14(15)18-16(19)12-5-4-6-13(12)17(20)21/h7-10,12-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyGRKZZIUELFAJID-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid

2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 103979426) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
PubChem CID103979426
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid
SMILESCc1ccc2c(c1)nc(C1CCCC1C(=O)O)n2C(C)C
InChIInChI=1S/C17H22N2O2/c1-10(2)19-15-8-7-11(3)9-14(15)18-16(19)12-5-4-6-13(12)17(20)21/h7-10,12-13H,4-6H2,1-3H3,(H,20,21)
InChIKeyGRKZZIUELFAJID-UHFFFAOYSA-N
XLogP3.89
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid (CID 103979426) is 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid is Cc1ccc2c(c1)nc(C1CCCC1C(=O)O)n2C(C)C.
What is the InChIKey of 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is GRKZZIUELFAJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-10(2)19-15-8-7-11(3)9-14(15)18-16(19)12-5-4-6-13(12)17(20)21/h7-10,12-13H,4-6H2,1-3H3,(H,20,21).
What are the key properties of 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid?
2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 286.38 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).