2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

C24H22N2O3 — CID 15069285

IUPAC2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(Cn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C24H22N2O3/c27-15-5-10-23-25-21-8-3-4-9-22(21)26(23)16-17-11-13-18(14-12-17)19-6-1-2-7-20(19)24(28)29/h1-4,6-9,11-14,27H,5,10,15-16H2,(H,28,29)
InChIKeyGAOLKGZDSHTRNE-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.37
Rot. Bonds7

About 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid

2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid (PubChem CID 15069285) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
PubChem CID15069285
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(Cn2c(CCCO)nc3ccccc32)cc1
InChIInChI=1S/C24H22N2O3/c27-15-5-10-23-25-21-8-3-4-9-22(21)26(23)16-17-11-13-18(14-12-17)19-6-1-2-7-20(19)24(28)29/h1-4,6-9,11-14,27H,5,10,15-16H2,(H,28,29)
InChIKeyGAOLKGZDSHTRNE-UHFFFAOYSA-N
XLogP4.37
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-butylimidazo[4,5-c]pyridin-1-yl)methyl]phenyl]benzoic acid
CID 67910451
2-[4-[[2-(propylsulfanylmethyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15069266
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
2-[4-[[6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 10051708
2-[4-[(2-butyl-5-sulfamoylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 44570214
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3160745
2-[4-[(2-propyl-6-quinolin-2-ylbenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 54390994
2-[4-[(5,7-diethyl-6-oxo-2-pentylcyclohepta[d]imidazol-3-yl)methyl]phenyl]benzoic acid
CID 19102898
2-[4-[[6-(azepan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15661956
2-[4-[[6-(azocan-1-yl)-2-butylbenzimidazol-1-yl]methyl]phenyl]benzoic acid
CID 15661952
2-[4-[(2-butyl-6-phenylmethoxybenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 57265953

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid (CID 15069285) is 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(Cn2c(CCCO)nc3ccccc32)cc1.
What is the InChIKey of 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid?
The InChIKey is GAOLKGZDSHTRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-15-5-10-23-25-21-8-3-4-9-22(21)26(23)16-17-11-13-18(14-12-17)19-6-1-2-7-20(19)24(28)29/h1-4,6-9,11-14,27H,5,10,15-16H2,(H,28,29).
What are the key properties of 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid?
2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid has a molecular weight of 386.45 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-hydroxypropyl)benzimidazol-1-yl]methyl]phenyl]benzoic acid is sourced from PubChem (CID 15069285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).