4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride

C12H15ClN2O2 — CID 71828515

IUPAC4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
SMILESCl.Cn1c(CCCC(=O)O)nc2ccccc21
InChIInChI=1S/C12H14N2O2.ClH/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16;/h2-3,5-6H,4,7-8H2,1H3,(H,15,16);1H
InChIKeyUZXMWEWCWKUPCF-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.40
Rot. Bonds4

About 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride

4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride (PubChem CID 71828515) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
PubChem CID71828515
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
SMILESCl.Cn1c(CCCC(=O)O)nc2ccccc21
InChIInChI=1S/C12H14N2O2.ClH/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16;/h2-3,5-6H,4,7-8H2,1H3,(H,15,16);1H
InChIKeyUZXMWEWCWKUPCF-UHFFFAOYSA-N
XLogP2.40
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
3-(1-methylbenzimidazol-2-yl)propan-1-ol
CID 4585215
4-(5-fluoro-1-methylbenzimidazol-2-yl)butanoic acid
CID 54920192
4-(5-amino-1-methylbenzimidazol-2-yl)butanoic acid
CID 6488083
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
4-(2-propylbenzimidazol-1-yl)butanoic acid
CID 46784588
5-(1-tert-butylbenzimidazol-2-yl)pentanoic acid
CID 43446748
2-(4-chlorobutyl)-1-methylbenzimidazole
CID 43142612
4-[6-[bis(2-hydroxyethyl)amino]-1-methylbenzimidazol-2-yl]butanoic acid;hydrochloride
CID 165428987
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
6-(1-phenylbenzimidazol-2-yl)hexanoic acid
CID 18979139

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride (CID 71828515) is 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride is Cl.Cn1c(CCCC(=O)O)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride?
The InChIKey is UZXMWEWCWKUPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16;/h2-3,5-6H,4,7-8H2,1H3,(H,15,16);1H.
What are the key properties of 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride?
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride is sourced from PubChem (CID 71828515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).