1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole

C18H17ClN2 — CID 70471993

IUPAC1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
SMILESCc1cc(C)c(-c2ccc(-n3ccnc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C18H17ClN2/c1-12-8-13(2)18(14(3)9-12)15-4-5-17(16(19)10-15)21-7-6-20-11-21/h4-11H,1-3H3
InChIKeyJXQRLHAQRRLBNB-UHFFFAOYSA-N
MW296.80 g/mol
LogP5.12
Rot. Bonds2

About 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole

1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole (PubChem CID 70471993) has the molecular formula C18H17ClN2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
PubChem CID70471993
Molecular FormulaC18H17ClN2
Molecular Weight296.80 g/mol
Exact Mass296.11
IUPAC Name1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole
SMILESCc1cc(C)c(-c2ccc(-n3ccnc3)c(Cl)c2)c(C)c1
InChIInChI=1S/C18H17ClN2/c1-12-8-13(2)18(14(3)9-12)15-4-5-17(16(19)10-15)21-7-6-20-11-21/h4-11H,1-3H3
InChIKeyJXQRLHAQRRLBNB-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.80
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole?
The IUPAC name of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole (CID 70471993) is 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole.
What is the SMILES notation for 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole?
The canonical SMILES for 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole is Cc1cc(C)c(-c2ccc(-n3ccnc3)c(Cl)c2)c(C)c1.
What is the InChIKey of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole?
The InChIKey is JXQRLHAQRRLBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2/c1-12-8-13(2)18(14(3)9-12)15-4-5-17(16(19)10-15)21-7-6-20-11-21/h4-11H,1-3H3.
What are the key properties of 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole?
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole has a molecular weight of 296.80 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]imidazole is sourced from PubChem (CID 70471993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).