4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid

C18H18N2O2 — CID 82149999

IUPAC4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
SMILESCc1cccc(-c2nc3ccccc3n2CCCC(=O)O)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-4-7-14(12-13)18-19-15-8-2-3-9-16(15)20(18)11-5-10-17(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,22)
InChIKeyRSTCBTRTVSPFNW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.88
Rot. Bonds5

About 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid

4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid (PubChem CID 82149999) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
PubChem CID82149999
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid
SMILESCc1cccc(-c2nc3ccccc3n2CCCC(=O)O)c1
InChIInChI=1S/C18H18N2O2/c1-13-6-4-7-14(12-13)18-19-15-8-2-3-9-16(15)20(18)11-5-10-17(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,22)
InChIKeyRSTCBTRTVSPFNW-UHFFFAOYSA-N
XLogP3.88
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1-octadecylbenzimidazole
CID 17000753
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
ethyl 4-(2-phenylbenzimidazol-1-yl)butanoate
CID 155778333
1-[4-(2,4-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000824
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
1-[3-(2,4-dimethylphenoxy)propyl]-2-(3-methylphenyl)benzimidazole
CID 17000799
1-[4-(4-ethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000838
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-(3-methylphenyl)benzimidazole
CID 17000870
2-(3-methylphenyl)-1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazole
CID 17000802
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
2-(3-chlorophenyl)-1-octylbenzimidazole
CID 17001958
1-[4-(2,4-dimethylphenoxy)butyl]-2-phenylbenzimidazole
CID 17000547

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid?
The IUPAC name of 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid (CID 82149999) is 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid?
The canonical SMILES for 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid is Cc1cccc(-c2nc3ccccc3n2CCCC(=O)O)c1.
What is the InChIKey of 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid?
The InChIKey is RSTCBTRTVSPFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-6-4-7-14(12-13)18-19-15-8-2-3-9-16(15)20(18)11-5-10-17(21)22/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,22).
What are the key properties of 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid?
4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylphenyl)benzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 82149999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).