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

C18H18N2O2 — CID 82144650

IUPAC2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-15(18(21)22)20-16-7-5-4-6-14(16)19-17(20)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,21,22)
InChIKeyRTRBRJGMKQJNNK-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.05
Rot. Bonds4

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

2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid (PubChem CID 82144650) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
PubChem CID82144650
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1c(-c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C18H18N2O2/c1-3-15(18(21)22)20-16-7-5-4-6-14(16)19-17(20)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,21,22)
InChIKeyRTRBRJGMKQJNNK-UHFFFAOYSA-N
XLogP4.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid?
The IUPAC name of 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid (CID 82144650) is 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid is CCC(C(=O)O)n1c(-c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid?
The InChIKey is RTRBRJGMKQJNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-15(18(21)22)20-16-7-5-4-6-14(16)19-17(20)13-10-8-12(2)9-11-13/h4-11,15H,3H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid?
2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)benzimidazol-1-yl]butanoic acid is sourced from PubChem (CID 82144650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).