(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid

C13H16N2O2 — CID 51704130

IUPAC(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
SMILESCc1cc2ncn(C[C@@H](C)C(=O)O)c2cc1C
InChIInChI=1S/C13H16N2O2/c1-8-4-11-12(5-9(8)2)15(7-14-11)6-10(3)13(16)17/h4-5,7,10H,6H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyMMEILEAEOHKIIF-SNVBAGLBSA-N
MW232.28 g/mol
LogP2.37
Rot. Bonds3

About (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid

(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid (PubChem CID 51704130) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
PubChem CID51704130
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid
SMILESCc1cc2ncn(C[C@@H](C)C(=O)O)c2cc1C
InChIInChI=1S/C13H16N2O2/c1-8-4-11-12(5-9(8)2)15(7-14-11)6-10(3)13(16)17/h4-5,7,10H,6H2,1-3H3,(H,16,17)/t10-/m1/s1
InChIKeyMMEILEAEOHKIIF-SNVBAGLBSA-N
XLogP2.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(benzimidazol-1-yl)-2-methylpropanoic acid
CID 806595
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
2-(5,6-dimethylbenzimidazol-1-yl)-N-propan-2-ylacetamide
CID 17028490
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981
3-(5,6-dimethylbenzimidazol-1-yl)-2-(ethylamino)propan-1-ol
CID 64811932
1-(5,6-dimethylbenzimidazol-1-yl)-3-methylbutan-1-one
CID 4635768
1-(5,6-dimethylbenzimidazol-1-yl)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 110932874
1-(5,6-dimethylbenzimidazol-1-yl)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 110897311
3-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]benzoic acid
CID 1120298
1-[4-[3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 17472921
3-(5,6-dimethylbenzimidazol-1-yl)-2-phenylpropanenitrile
CID 64535963
3-(5,6-difluorobenzimidazol-1-yl)-2-methylpropanehydrazide
CID 63577776

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid (CID 51704130) is (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid is Cc1cc2ncn(C[C@@H](C)C(=O)O)c2cc1C.
What is the InChIKey of (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid?
The InChIKey is MMEILEAEOHKIIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-4-11-12(5-9(8)2)15(7-14-11)6-10(3)13(16)17/h4-5,7,10H,6H2,1-3H3,(H,16,17)/t10-/m1/s1.
What are the key properties of (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid?
(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-methylpropanoic acid is sourced from PubChem (CID 51704130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).