2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid

C14H18N2O2 — CID 81009059

IUPAC2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
SMILESCC(Cc1nc2ccccc2n1C)C(C)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-9(10(2)14(17)18)8-13-15-11-6-4-5-7-12(11)16(13)3/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyHEDNKPUDIJRUDS-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.47
Rot. Bonds4

About 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid

2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid (PubChem CID 81009059) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
PubChem CID81009059
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid
SMILESCC(Cc1nc2ccccc2n1C)C(C)C(=O)O
InChIInChI=1S/C14H18N2O2/c1-9(10(2)14(17)18)8-13-15-11-6-4-5-7-12(11)16(13)3/h4-7,9-10H,8H2,1-3H3,(H,17,18)
InChIKeyHEDNKPUDIJRUDS-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
CID 79751041
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
1-(1-methylbenzimidazol-2-yl)-3-propan-2-ylsulfanylpropan-2-one
CID 79754011
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid (CID 81009059) is 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid is CC(Cc1nc2ccccc2n1C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid?
The InChIKey is HEDNKPUDIJRUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(10(2)14(17)18)8-13-15-11-6-4-5-7-12(11)16(13)3/h4-7,9-10H,8H2,1-3H3,(H,17,18).
What are the key properties of 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid?
2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid has a molecular weight of 246.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butanoic acid is sourced from PubChem (CID 81009059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).