3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride

C12H15ClN2O2 — CID 16615175

IUPAC3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
SMILESCc1cc2ncn(CCC(=O)O)c2cc1C.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-8-5-10-11(6-9(8)2)14(7-13-10)4-3-12(15)16;/h5-7H,3-4H2,1-2H3,(H,15,16);1H
InChIKeyDPTKBJFCXLNQGG-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.55
Rot. Bonds3

About 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride

3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride (PubChem CID 16615175) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
PubChem CID16615175
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
SMILESCc1cc2ncn(CCC(=O)O)c2cc1C.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-8-5-10-11(6-9(8)2)14(7-13-10)4-3-12(15)16;/h5-7H,3-4H2,1-2H3,(H,15,16);1H
InChIKeyDPTKBJFCXLNQGG-UHFFFAOYSA-N
XLogP2.55
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dazmegrel
CID 53555
3-(1H-1,3-benzodiazol-1-yl)propanoic acid
CID 748256
5,6-dimethyl-1-((4-methylphenyl)methyl)-1H-1,3-benzodiazole
CID 962387
2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid
CID 657047
3-(1H-1,3-benzodiazol-1-yl)-2-methylpropanoic acid
CID 2911125
1-(2-Methyl-benzyl)-1H-benzoimidazole
CID 571156
3-(2-Methyl-benzoimidazol-1-YL)-propionic acid hydrochloride
CID 9549352
3-(2-methyl-1H-1,3-benzodiazol-1-yl)propanoic acid
CID 937052
1-((4-fluorophenyl)methyl)-5,6-dimethyl-1H-1,3-benzodiazole
CID 962386
Azepan-1-yl-(5,6-dimethyl-benzoimidazol-1-yl)-methanone
CID 2928818
N,N,5,6-tetramethyl-1H-benzimidazole-1-sulfonamide
CID 742776
1-Butyl-5,6-dimethyl-1H-benzimidazole
CID 2130268

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride (CID 16615175) is 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride is Cc1cc2ncn(CCC(=O)O)c2cc1C.Cl.
What is the InChIKey of 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is DPTKBJFCXLNQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-8-5-10-11(6-9(8)2)14(7-13-10)4-3-12(15)16;/h5-7H,3-4H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride?
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 16615175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).