4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid

C14H18N2O2 — CID 82150018

IUPAC4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
SMILESCc1cc2nc(C)n(CCCC(=O)O)c2cc1C
InChIInChI=1S/C14H18N2O2/c1-9-7-12-13(8-10(9)2)16(11(3)15-12)6-4-5-14(17)18/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyQEENWXNHYNWCDP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.83
Rot. Bonds4

About 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid

4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid (PubChem CID 82150018) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
PubChem CID82150018
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid
SMILESCc1cc2nc(C)n(CCCC(=O)O)c2cc1C
InChIInChI=1S/C14H18N2O2/c1-9-7-12-13(8-10(9)2)16(11(3)15-12)6-4-5-14(17)18/h7-8H,4-6H2,1-3H3,(H,17,18)
InChIKeyQEENWXNHYNWCDP-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoate
CID 165382501
4-[2-(ethylamino)-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82359658
4-[2-[(dimethylamino)methyl]-5,6-dimethylbenzimidazol-1-yl]butanoic acid
CID 82311942
4-(5-methoxy-2-methylbenzimidazol-1-yl)butanoic acid
CID 83418426
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
CID 167583798
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
3-(6-hydroxy-2-methylbenzimidazol-1-yl)propanoic acid
CID 6494984
2-(2-ethyl-5,6-dimethylbenzimidazol-1-yl)acetic acid
CID 62336744
5-(6-bromo-2-methylimidazo[4,5-b]pyridin-3-yl)pentanoic acid
CID 94758220
3-(5,6-dimethyl-2-pyridin-4-ylbenzimidazol-1-yl)propanoic acid
CID 82145292
5,6-dichloro-1-[4-(5,6-dichloro-2-methylbenzimidazol-1-yl)butyl]-2-methylbenzimidazole
CID 91737844

Frequently Asked Questions

What is the IUPAC name of 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid (CID 82150018) is 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid is Cc1cc2nc(C)n(CCCC(=O)O)c2cc1C.
What is the InChIKey of 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid?
The InChIKey is QEENWXNHYNWCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-7-12-13(8-10(9)2)16(11(3)15-12)6-4-5-14(17)18/h7-8H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid?
4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5,6-trimethylbenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 82150018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).