6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline

C19H14ClN3 — CID 122510457

IUPAC6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline
SMILESCc1nc(-c2cccc(Cl)c2)c(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C19H14ClN3/c1-12-22-18(14-4-2-6-16(20)11-14)19(23-12)15-7-8-17-13(10-15)5-3-9-21-17/h2-11H,1H3,(H,22,23)
InChIKeyUFWWTBXPJRUJSU-UHFFFAOYSA-N
MW319.80 g/mol
LogP5.25
Rot. Bonds2

About 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline

6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline (PubChem CID 122510457) has the molecular formula C19H14ClN3 and a molecular weight of 319.80 g/mol. Its IUPAC name is 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline.

Molecular Properties

Compound Name6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline
PubChem CID122510457
Molecular FormulaC19H14ClN3
Molecular Weight319.80 g/mol
Exact Mass319.09
IUPAC Name6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline
SMILESCc1nc(-c2cccc(Cl)c2)c(-c2ccc3ncccc3c2)[nH]1
InChIInChI=1S/C19H14ClN3/c1-12-22-18(14-4-2-6-16(20)11-14)19(23-12)15-7-8-17-13(10-15)5-3-9-21-17/h2-11H,1H3,(H,22,23)
InChIKeyUFWWTBXPJRUJSU-UHFFFAOYSA-N
XLogP5.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.80
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline?
The IUPAC name of 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline (CID 122510457) is 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline.
What is the SMILES notation for 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline?
The canonical SMILES for 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline is Cc1nc(-c2cccc(Cl)c2)c(-c2ccc3ncccc3c2)[nH]1.
What is the InChIKey of 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline?
The InChIKey is UFWWTBXPJRUJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3/c1-12-22-18(14-4-2-6-16(20)11-14)19(23-12)15-7-8-17-13(10-15)5-3-9-21-17/h2-11H,1H3,(H,22,23).
What are the key properties of 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline?
6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline has a molecular weight of 319.80 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chlorophenyl)-2-methyl-1H-imidazol-5-yl]quinoline is sourced from PubChem (CID 122510457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).