1-propan-2-ylbenzimidazole-5-carboxylic acid

C11H12N2O2 — CID 4712703

IUPAC1-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15)
InChIKeySQIQIYYPWAELAC-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.32
Rot. Bonds2

About 1-propan-2-ylbenzimidazole-5-carboxylic acid

1-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 4712703) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID4712703
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)n1cnc2cc(C(=O)O)ccc21
InChIInChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15)
InChIKeySQIQIYYPWAELAC-UHFFFAOYSA-N
XLogP2.32
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-propan-2-ylbenzimidazole-5-carboxylic acid (CID 4712703) is 1-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-propan-2-ylbenzimidazole-5-carboxylic acid is CC(C)n1cnc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is SQIQIYYPWAELAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15).
What are the key properties of 1-propan-2-ylbenzimidazole-5-carboxylic acid?
1-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 4712703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).