2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid

C15H20N2O3 — CID 115933618

IUPAC2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2cccc(C(=O)O)c2n1C(C)CCCO
InChIInChI=1S/C15H20N2O3/c1-3-13-16-12-8-4-7-11(15(19)20)14(12)17(13)10(2)6-5-9-18/h4,7-8,10,18H,3,5-6,9H2,1-2H3,(H,19,20)
InChIKeyMTWONROLPOSJCI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.63
Rot. Bonds6

About 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid

2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid (PubChem CID 115933618) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
PubChem CID115933618
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
SMILESCCc1nc2cccc(C(=O)O)c2n1C(C)CCCO
InChIInChI=1S/C15H20N2O3/c1-3-13-16-12-8-4-7-11(15(19)20)14(12)17(13)10(2)6-5-9-18/h4,7-8,10,18H,3,5-6,9H2,1-2H3,(H,19,20)
InChIKeyMTWONROLPOSJCI-UHFFFAOYSA-N
XLogP2.63
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid
CID 115933617
2-ethyl-3-(1-methoxy-1-oxopropan-2-yl)benzimidazole-4-carboxylic acid
CID 115933093
3-(1-amino-3-methyl-1-oxobutan-2-yl)-2-ethylbenzimidazole-4-carboxylic acid
CID 106346772
2-ethyl-3-(5-hydroxy-4-methylpentyl)benzimidazole-4-carboxylic acid
CID 106162414
3-(4-hydroxybutyl)-2-propylbenzimidazole-4-carboxylic acid
CID 106842855
3-(4-bromophenyl)-2-ethylbenzimidazole-4-carboxylic acid
CID 115932648
2-ethyl-3-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzimidazole-4-carboxylic acid
CID 107866416
3-(4-hydroxybutyl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 106842848
2-ethyl-3-(4-methoxybutyl)benzimidazole-4-carboxylic acid
CID 115933172
3-(1-hydroxy-3-methoxypropan-2-yl)-2-propylbenzimidazole-4-carboxylic acid
CID 106188849
3-(1-ethoxypropan-2-yl)-2-propan-2-ylbenzimidazole-4-carboxylic acid
CID 115933177
2-tert-butyl-3-(3-methylbutyl)benzimidazole-4-carboxylic acid
CID 115932790

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid (CID 115933618) is 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid is CCc1nc2cccc(C(=O)O)c2n1C(C)CCCO.
What is the InChIKey of 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
The InChIKey is MTWONROLPOSJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-13-16-12-8-4-7-11(15(19)20)14(12)17(13)10(2)6-5-9-18/h4,7-8,10,18H,3,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid?
2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(5-hydroxypentan-2-yl)benzimidazole-4-carboxylic acid is sourced from PubChem (CID 115933618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).