5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid

C19H20N2O3 — CID 57458903

IUPAC5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
SMILESCOc1ccc(-c2nc3ccccc3n2CCCCC(=O)O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-15-11-9-14(10-12-15)19-20-16-6-2-3-7-17(16)21(19)13-5-4-8-18(22)23/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,23)
InChIKeyAVXNLAIGDRNEBB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.97
Rot. Bonds7

About 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid

5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid (PubChem CID 57458903) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
PubChem CID57458903
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
SMILESCOc1ccc(-c2nc3ccccc3n2CCCCC(=O)O)cc1
InChIInChI=1S/C19H20N2O3/c1-24-15-11-9-14(10-12-15)19-20-16-6-2-3-7-17(16)21(19)13-5-4-8-18(22)23/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,23)
InChIKeyAVXNLAIGDRNEBB-UHFFFAOYSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-methoxyphenoxy)butyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001362
3-[2-(4-methoxyphenyl)benzimidazol-1-yl]propanethioamide
CID 94756512
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
CID 82149999
1-[3-(3,5-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001345
2-(2-phenylbenzimidazol-1-yl)ethyl 4-methoxybenzoate
CID 58974418
2-[2-[4-(2-methoxyphenoxy)phenyl]benzimidazol-1-yl]acetic acid
CID 22683022
N,N-diethyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]ethanamine
CID 21391
2-(4-bromophenyl)-1-[3-(4-methoxyphenoxy)propyl]benzimidazole
CID 17001216
1-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methoxyphenyl)benzimidazole
CID 17001335
2-(4-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 18879176
1-[2-(4-methoxyphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000523
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid?
The IUPAC name of 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid (CID 57458903) is 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid?
The canonical SMILES for 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid is COc1ccc(-c2nc3ccccc3n2CCCCC(=O)O)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid?
The InChIKey is AVXNLAIGDRNEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-24-15-11-9-14(10-12-15)19-20-16-6-2-3-7-17(16)21(19)13-5-4-8-18(22)23/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,23).
What are the key properties of 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid?
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid has a molecular weight of 324.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid is sourced from PubChem (CID 57458903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).