3-benzylimidazole-4-carboxylic acid;hydrochloride

C11H11ClN2O2 — CID 140831521

IUPAC3-benzylimidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncn1Cc1ccccc1
InChIInChI=1S/C11H10N2O2.ClH/c14-11(15)10-6-12-8-13(10)7-9-4-2-1-3-5-9;/h1-6,8H,7H2,(H,14,15);1H
InChIKeyRORMQTLHIZSOAO-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.05
Rot. Bonds3

About 3-benzylimidazole-4-carboxylic acid;hydrochloride

3-benzylimidazole-4-carboxylic acid;hydrochloride (PubChem CID 140831521) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-benzylimidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-benzylimidazole-4-carboxylic acid;hydrochloride
PubChem CID140831521
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-benzylimidazole-4-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cncn1Cc1ccccc1
InChIInChI=1S/C11H10N2O2.ClH/c14-11(15)10-6-12-8-13(10)7-9-4-2-1-3-5-9;/h1-6,8H,7H2,(H,14,15);1H
InChIKeyRORMQTLHIZSOAO-UHFFFAOYSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-benzylimidazole-4-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[4-[2-(2-hydroxy-3,4-dioxocyclobuten-1-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 154221803
3-(2-aminoethyl)imidazole-4-carboxylic acid;hydrochloride
CID 122163646
3-[[4-[2-(5-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 91520765
1-benzyl-5-[3,3-bis(4-methylphenyl)prop-1-en-2-yl]imidazole
CID 19904251
3-propylimidazole-4-carboxylic acid
CID 45082087
1-benzyl-5-[3,3-bis(2-methylphenyl)prop-1-en-2-yl]imidazole
CID 19904272
(3-benzylimidazol-4-yl) prop-2-enoate
CID 174275892
methyl 3-(pyridin-3-ylmethyl)imidazole-4-carboxylate
CID 24828316
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
(2S)-3-(3-benzylimidazol-4-yl)-2-(prop-2-enoylamino)propanoic acid;ethane
CID 90969843
3-[(pyridin-3-ylamino)methyl]imidazole-4-carboxylic acid
CID 171977746
3-butylimidazole-4-carboxylic acid
CID 14460718

Frequently Asked Questions

What is the IUPAC name of 3-benzylimidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 3-benzylimidazole-4-carboxylic acid;hydrochloride (CID 140831521) is 3-benzylimidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-benzylimidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 3-benzylimidazole-4-carboxylic acid;hydrochloride is Cl.O=C(O)c1cncn1Cc1ccccc1.
What is the InChIKey of 3-benzylimidazole-4-carboxylic acid;hydrochloride?
The InChIKey is RORMQTLHIZSOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2.ClH/c14-11(15)10-6-12-8-13(10)7-9-4-2-1-3-5-9;/h1-6,8H,7H2,(H,14,15);1H.
What are the key properties of 3-benzylimidazole-4-carboxylic acid;hydrochloride?
3-benzylimidazole-4-carboxylic acid;hydrochloride has a molecular weight of 238.67 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylimidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 140831521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).