2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid

C15H18N2O3 — CID 82790323

IUPAC2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
SMILESCC(O)CCn1c(C2CC2)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H18N2O3/c1-9(18)6-7-17-13-8-11(15(19)20)4-5-12(13)16-14(17)10-2-3-10/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyYFVNUCOBRLSGFJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.38
Rot. Bonds5

About 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid

2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid (PubChem CID 82790323) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
PubChem CID82790323
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid
SMILESCC(O)CCn1c(C2CC2)nc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H18N2O3/c1-9(18)6-7-17-13-8-11(15(19)20)4-5-12(13)16-14(17)10-2-3-10/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,19,20)
InChIKeyYFVNUCOBRLSGFJ-UHFFFAOYSA-N
XLogP2.38
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-cyclopropylethyl)benzimidazole-5-carboxylic acid
CID 82773778
2-cyclopropyl-3-(2-methylsulfanylethyl)benzimidazole-5-carboxylic acid
CID 82790482
2-cyclopropyl-3-[2-(dimethylamino)propyl]benzimidazole-5-carboxylic acid
CID 82773918
2-cyclopropyl-3-[(2-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 18681002
3-(cyclopropylmethyl)-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 82791209
2-cyclobutyl-1-propylbenzimidazole-5-carboxylic acid
CID 82483518
2-tert-butyl-3-(3-methylbutyl)benzimidazole-5-carboxylic acid
CID 82768908
2-cyclobutyl-1-(2-methylpropyl)benzimidazole-5-carboxylic acid
CID 82488604
2-cyclopropyl-1-(3-ethoxypropyl)benzimidazole-5-carboxylic acid
CID 43140489
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
3-(3-methylbutyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 82768907
2-cyclopropyl-3-(3-methylcyclopentyl)benzimidazole-5-carboxylic acid
CID 114549169

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid (CID 82790323) is 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid is CC(O)CCn1c(C2CC2)nc2ccc(C(=O)O)cc21.
What is the InChIKey of 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid?
The InChIKey is YFVNUCOBRLSGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-9(18)6-7-17-13-8-11(15(19)20)4-5-12(13)16-14(17)10-2-3-10/h4-5,8-10,18H,2-3,6-7H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid?
2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3-hydroxybutyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 82790323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).