2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride

C14H19ClN2O2 — CID 75530812

IUPAC2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
SMILESCCCCc1nc2ccccc2n1C(C)C(=O)O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-4-9-13-15-11-7-5-6-8-12(11)16(13)10(2)14(17)18;/h5-8,10H,3-4,9H2,1-2H3,(H,17,18);1H
InChIKeyFVSSYZYHAAGMBJ-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.45
Rot. Bonds5

About 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride

2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride (PubChem CID 75530812) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
PubChem CID75530812
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
SMILESCCCCc1nc2ccccc2n1C(C)C(=O)O.Cl
InChIInChI=1S/C14H18N2O2.ClH/c1-3-4-9-13-15-11-7-5-6-8-12(11)16(13)10(2)14(17)18;/h5-8,10H,3-4,9H2,1-2H3,(H,17,18);1H
InChIKeyFVSSYZYHAAGMBJ-UHFFFAOYSA-N
XLogP3.45
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-methylbenzimidazol-1-yl)propanoic acid
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2-(2-butylbenzimidazol-1-yl)propan-1-amine
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2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
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CID 82024733
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
3-(2-benzylbenzimidazol-1-yl)butan-2-one
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CID 63636686

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride (CID 75530812) is 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride is CCCCc1nc2ccccc2n1C(C)C(=O)O.Cl.
What is the InChIKey of 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride?
The InChIKey is FVSSYZYHAAGMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c1-3-4-9-13-15-11-7-5-6-8-12(11)16(13)10(2)14(17)18;/h5-8,10H,3-4,9H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride?
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 75530812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).