methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid

C23H18N2O5 — CID 138683165

IUPACmethanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid
SMILESCO.O=C(O)c1ccccc1-c1nc2ccccc2n1C1OC(=O)c2ccccc21
InChIInChI=1S/C22H14N2O4.CH4O/c25-21(26)15-9-3-1-7-13(15)19-23-17-11-5-6-12-18(17)24(19)20-14-8-2-4-10-16(14)22(27)28-20;1-2/h1-12,20H,(H,25,26);2H,1H3
InChIKeyUGUGMOBPLYBKIM-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.73
Rot. Bonds3

About methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid

methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid (PubChem CID 138683165) has the molecular formula C23H18N2O5 and a molecular weight of 402.41 g/mol. Its IUPAC name is methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid.

Molecular Properties

Compound Namemethanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid
PubChem CID138683165
Molecular FormulaC23H18N2O5
Molecular Weight402.41 g/mol
Exact Mass402.12
IUPAC Namemethanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid
SMILESCO.O=C(O)c1ccccc1-c1nc2ccccc2n1C1OC(=O)c2ccccc21
InChIInChI=1S/C22H14N2O4.CH4O/c25-21(26)15-9-3-1-7-13(15)19-23-17-11-5-6-12-18(17)24(19)20-14-8-2-4-10-16(14)22(27)28-20;1-2/h1-12,20H,(H,25,26);2H,1H3
InChIKeyUGUGMOBPLYBKIM-UHFFFAOYSA-N
XLogP3.73
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(hydroxyamino)-2-oxoethyl]benzimidazol-2-yl]benzoic acid
CID 155737900
2-(2,5-dimethyl-1,2,4-triazol-3-yl)benzoic acid
CID 62696650
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
2-[[(1S)-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
CID 139074477
2-[[(1R)-3-oxo-1H-2-benzofuran-1-yl]methyl]benzoic acid
CID 7000033
ethyl 1-[2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl]piperidine-4-carboxylate
CID 136795109
2-[3-(4-anilinophenyl)iminopyrazolo[1,5-a]benzimidazol-2-yl]benzoic acid
CID 58776955
2-(5-chloro-2-methyl-6-oxo-1H-pyrimidin-4-yl)benzoic acid
CID 136662154
2-(5-cyano-1-propylbenzimidazol-2-yl)benzoic acid
CID 4915316
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
2-(2-methyl-5-oxo-1,2-oxazol-3-yl)benzoic acid
CID 84724427

Frequently Asked Questions

What is the IUPAC name of methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid?
The IUPAC name of methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid (CID 138683165) is methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid.
What is the SMILES notation for methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid?
The canonical SMILES for methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid is CO.O=C(O)c1ccccc1-c1nc2ccccc2n1C1OC(=O)c2ccccc21.
What is the InChIKey of methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid?
The InChIKey is UGUGMOBPLYBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O4.CH4O/c25-21(26)15-9-3-1-7-13(15)19-23-17-11-5-6-12-18(17)24(19)20-14-8-2-4-10-16(14)22(27)28-20;1-2/h1-12,20H,(H,25,26);2H,1H3.
What are the key properties of methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid?
methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid has a molecular weight of 402.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-[1-(3-oxo-1H-2-benzofuran-1-yl)benzimidazol-2-yl]benzoic acid is sourced from PubChem (CID 138683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).