2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride

C17H16Cl2N2O2 — CID 13394256

IUPAC2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
SMILESCOc1ccc(-c2nc(Cl)[nH]c2-c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C17H15ClN2O2.ClH/c1-21-13-7-3-11(4-8-13)15-16(20-17(18)19-15)12-5-9-14(22-2)10-6-12;/h3-10H,1-2H3,(H,19,20);1H
InChIKeyGVYTVQYKBUJZJK-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.84
Rot. Bonds4

About 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride

2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride (PubChem CID 13394256) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
PubChem CID13394256
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC Name2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
SMILESCOc1ccc(-c2nc(Cl)[nH]c2-c2ccc(OC)cc2)cc1.Cl
InChIInChI=1S/C17H15ClN2O2.ClH/c1-21-13-7-3-11(4-8-13)15-16(20-17(18)19-15)12-5-9-14(22-2)10-6-12;/h3-10H,1-2H3,(H,19,20);1H
InChIKeyGVYTVQYKBUJZJK-UHFFFAOYSA-N
XLogP4.84
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-methoxyphenyl)-5-methyl-1H-imidazole
CID 105480004
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 57100935
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl] N,N-dimethylcarbamate
CID 69444382
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride (CID 13394256) is 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride is COc1ccc(-c2nc(Cl)[nH]c2-c2ccc(OC)cc2)cc1.Cl.
What is the InChIKey of 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride?
The InChIKey is GVYTVQYKBUJZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2.ClH/c1-21-13-7-3-11(4-8-13)15-16(20-17(18)19-15)12-5-9-14(22-2)10-6-12;/h3-10H,1-2H3,(H,19,20);1H.
What are the key properties of 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride?
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride has a molecular weight of 351.23 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 13394256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).