2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid

C17H16N2O3 — CID 82162057

IUPAC2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1c(-c2cccc(O)c2)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-14(17(21)22)19-15-9-4-3-8-13(15)18-16(19)11-6-5-7-12(20)10-11/h3-10,14,20H,2H2,1H3,(H,21,22)
InChIKeyLBHQGSJIVMGWME-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.44
Rot. Bonds4

About 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid

2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid (PubChem CID 82162057) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
PubChem CID82162057
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1c(-c2cccc(O)c2)nc2ccccc21
InChIInChI=1S/C17H16N2O3/c1-2-14(17(21)22)19-15-9-4-3-8-13(15)18-16(19)11-6-5-7-12(20)10-11/h3-10,14,20H,2H2,1H3,(H,21,22)
InChIKeyLBHQGSJIVMGWME-UHFFFAOYSA-N
XLogP3.44
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82144650
2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760440
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
2-[2-(1H-indol-6-yl)benzimidazol-1-yl]-4-methylpentanoic acid
CID 142760442
2-[2-(4-nitrophenyl)benzimidazol-1-yl]butanamide
CID 123439643
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
CID 177424273
2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
CID 135844964
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
methyl 2-(2-methylbenzimidazol-1-yl)butanoate
CID 4000704
2-(2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82144822

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid?
The IUPAC name of 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid (CID 82162057) is 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid?
The canonical SMILES for 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid is CCC(C(=O)O)n1c(-c2cccc(O)c2)nc2ccccc21.
What is the InChIKey of 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid?
The InChIKey is LBHQGSJIVMGWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-2-14(17(21)22)19-15-9-4-3-8-13(15)18-16(19)11-6-5-7-12(20)10-11/h3-10,14,20H,2H2,1H3,(H,21,22).
What are the key properties of 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid?
2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid has a molecular weight of 296.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxyphenyl)benzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 82162057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).