2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole

C13H15ClN2 — CID 117260158

IUPAC2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole
SMILESCc1ccc(-c2cnc(Cl)n2C(C)C)cc1
InChIInChI=1S/C13H15ClN2/c1-9(2)16-12(8-15-13(16)14)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKeyLIAWONAJPTYNRY-UHFFFAOYSA-N
MW234.73 g/mol
LogP4.09
Rot. Bonds2

About 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole

2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole (PubChem CID 117260158) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole
PubChem CID117260158
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole
SMILESCc1ccc(-c2cnc(Cl)n2C(C)C)cc1
InChIInChI=1S/C13H15ClN2/c1-9(2)16-12(8-15-13(16)14)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKeyLIAWONAJPTYNRY-UHFFFAOYSA-N
XLogP4.09
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(5-chlorothiophen-2-yl)-1-propan-2-ylimidazole
CID 117260050
1-methyl-2,5-bis(4-methylphenyl)imidazole
CID 138756997
2-(4-chlorophenyl)-5-methyl-1-propan-2-ylpyrrole
CID 82082972
2-chloro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidine
CID 42632600
3,10-bis(4-methylphenyl)-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene
CID 54757875
5-(4-methoxyphenyl)-2-methylsulfanyl-1-propan-2-ylimidazole
CID 12833672
2-chloro-5-cyclobutyl-1-propan-2-ylimidazole
CID 117260181
2-(4-methylphenyl)-5-nitro-1-propan-2-ylpyrrole
CID 142784830
5-(4-bromophenyl)-2-chloro-1-ethylimidazole
CID 117260161
3-(aminomethyl)-6-(4-methylphenyl)-1-propan-2-ylpyridin-2-one
CID 82189293
1,1-dichloroethane;1,4-xylene
CID 70558607
3-(2-bromo-3-propan-2-ylimidazol-4-yl)pyridine
CID 117260068

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole?
The IUPAC name of 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole (CID 117260158) is 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole is Cc1ccc(-c2cnc(Cl)n2C(C)C)cc1.
What is the InChIKey of 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole?
The InChIKey is LIAWONAJPTYNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-9(2)16-12(8-15-13(16)14)11-6-4-10(3)5-7-11/h4-9H,1-3H3.
What are the key properties of 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole?
2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole has a molecular weight of 234.73 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methylphenyl)-1-propan-2-ylimidazole is sourced from PubChem (CID 117260158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).