2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid

C15H18N2O2 — CID 82483518

IUPAC2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
SMILESCCCn1c(C2CCC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O2/c1-2-8-17-13-7-6-11(15(18)19)9-12(13)16-14(17)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)
InChIKeyOATDQDPAETYUBL-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.41
Rot. Bonds4

About 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid

2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid (PubChem CID 82483518) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
PubChem CID82483518
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
SMILESCCCn1c(C2CCC2)nc2cc(C(=O)O)ccc21
InChIInChI=1S/C15H18N2O2/c1-2-8-17-13-7-6-11(15(18)19)9-12(13)16-14(17)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,19)
InChIKeyOATDQDPAETYUBL-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid (CID 82483518) is 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid is CCCn1c(C2CCC2)nc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid?
The InChIKey is OATDQDPAETYUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-8-17-13-7-6-11(15(18)19)9-12(13)16-14(17)10-4-3-5-10/h6-7,9-10H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid?
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82483518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).