3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid

C15H18N2O2 — CID 112577260

IUPAC3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C1CCC1
InChIInChI=1S/C15H18N2O2/c1-2-5-13-16-12-9-4-8-11(15(18)19)14(12)17(13)10-6-3-7-10/h4,8-10H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyBJIOCTFRTZNYQJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.41
Rot. Bonds4

About 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid

3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid (PubChem CID 112577260) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
PubChem CID112577260
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid
SMILESCCCc1nc2cccc(C(=O)O)c2n1C1CCC1
InChIInChI=1S/C15H18N2O2/c1-2-5-13-16-12-9-4-8-11(15(18)19)14(12)17(13)10-6-3-7-10/h4,8-10H,2-3,5-7H2,1H3,(H,18,19)
InChIKeyBJIOCTFRTZNYQJ-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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Related Compounds

3-cyclohexyl-2-propylbenzimidazole-4-carboxylic acid
CID 115932845
2-ethyl-3-(4-hydroxycyclohexyl)benzimidazole-4-carboxylic acid
CID 104966802
3-(cyclopropylmethyl)-2-propylbenzimidazole-4-carboxylic acid
CID 112577070
3-(1-methylcyclopropyl)-2-propylbenzimidazole-4-carboxylic acid
CID 113485834
3-(2-methylbutan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 115932628
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
3-(1-hydroxy-3-methoxypropan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 106188849
3-cyclopentyl-2-propylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 82488832
3-(oxan-3-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933375
2-(2-propylbenzimidazol-1-yl)cyclobutane-1-carboxylic acid
CID 112632122
methyl 2-amino-3-cyclobutylbenzimidazole-4-carboxylate
CID 118938343

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid?
The IUPAC name of 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid (CID 112577260) is 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid is CCCc1nc2cccc(C(=O)O)c2n1C1CCC1.
What is the InChIKey of 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid?
The InChIKey is BJIOCTFRTZNYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-5-13-16-12-9-4-8-11(15(18)19)14(12)17(13)10-6-3-7-10/h4,8-10H,2-3,5-7H2,1H3,(H,18,19).
What are the key properties of 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid?
3-cyclobutyl-2-propylbenzimidazole-4-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 3-cyclobutyl-2-propylbenzimidazole-4-carboxylic acid is sourced from PubChem (CID 112577260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).