2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride

C19H18Cl2N2O3 — CID 45263719

IUPAC2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(C(=O)O)nc1Cc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C19H17ClN2O3.ClH/c1-22-11-16(19(23)24)21-18(22)10-14-9-15(20)7-8-17(14)25-12-13-5-3-2-4-6-13;/h2-9,11H,10,12H2,1H3,(H,23,24);1H
InChIKeyAZHICMOGLPWZKX-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.36
Rot. Bonds6

About 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride

2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride (PubChem CID 45263719) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride
PubChem CID45263719
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride
SMILESCl.Cn1cc(C(=O)O)nc1Cc1cc(Cl)ccc1OCc1ccccc1
InChIInChI=1S/C19H17ClN2O3.ClH/c1-22-11-16(19(23)24)21-18(22)10-14-9-15(20)7-8-17(14)25-12-13-5-3-2-4-6-13;/h2-9,11H,10,12H2,1H3,(H,23,24);1H
InChIKeyAZHICMOGLPWZKX-UHFFFAOYSA-N
XLogP4.36
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride?
The IUPAC name of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride (CID 45263719) is 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride?
The canonical SMILES for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride is Cl.Cn1cc(C(=O)O)nc1Cc1cc(Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride?
The InChIKey is AZHICMOGLPWZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3.ClH/c1-22-11-16(19(23)24)21-18(22)10-14-9-15(20)7-8-17(14)25-12-13-5-3-2-4-6-13;/h2-9,11H,10,12H2,1H3,(H,23,24);1H.
What are the key properties of 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride?
2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride has a molecular weight of 393.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]-1-methylimidazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 45263719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).