1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

C15H20N2O2 — CID 43322894

IUPAC1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)Cn1c(C(C)C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O2/c1-9(2)8-17-13-6-5-11(15(18)19)7-12(13)16-14(17)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyFRPFJYOASYRTHA-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.51
Rot. Bonds4

About 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid

1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 43322894) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID43322894
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)Cn1c(C(C)C)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H20N2O2/c1-9(2)8-17-13-6-5-11(15(18)19)7-12(13)16-14(17)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,18,19)
InChIKeyFRPFJYOASYRTHA-UHFFFAOYSA-N
XLogP3.51
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid (CID 43322894) is 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is CC(C)Cn1c(C(C)C)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is FRPFJYOASYRTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9(2)8-17-13-6-5-11(15(18)19)7-12(13)16-14(17)10(3)4/h5-7,9-10H,8H2,1-4H3,(H,18,19).
What are the key properties of 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid?
1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 43322894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).