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

C26H21ClN4 — CID 44546194

IUPAC6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C26H21ClN4/c1-16-5-3-8-23(29-16)26-25(20-11-12-22-19(15-20)10-9-17(2)28-22)30-24(31-26)14-18-6-4-7-21(27)13-18/h3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyBAXKSIPWEBQMIW-UHFFFAOYSA-N
MW424.94 g/mol
LogP6.55
Rot. Bonds4

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

6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline (PubChem CID 44546194) has the molecular formula C26H21ClN4 and a molecular weight of 424.94 g/mol. Its IUPAC name is 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline.

Molecular Properties

Compound Name6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline
PubChem CID44546194
Molecular FormulaC26H21ClN4
Molecular Weight424.94 g/mol
Exact Mass424.15
IUPAC Name6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccc3nc(C)ccc3c2)n1
InChIInChI=1S/C26H21ClN4/c1-16-5-3-8-23(29-16)26-25(20-11-12-22-19(15-20)10-9-17(2)28-22)30-24(31-26)14-18-6-4-7-21(27)13-18/h3-13,15H,14H2,1-2H3,(H,30,31)
InChIKeyBAXKSIPWEBQMIW-UHFFFAOYSA-N
XLogP6.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.94
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline?
The IUPAC name of 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline (CID 44546194) is 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline.
What is the SMILES notation for 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline?
The canonical SMILES for 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline is Cc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccc3nc(C)ccc3c2)n1.
What is the InChIKey of 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline?
The InChIKey is BAXKSIPWEBQMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4/c1-16-5-3-8-23(29-16)26-25(20-11-12-22-19(15-20)10-9-17(2)28-22)30-24(31-26)14-18-6-4-7-21(27)13-18/h3-13,15H,14H2,1-2H3,(H,30,31).
What are the key properties of 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline?
6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline has a molecular weight of 424.94 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline is sourced from PubChem (CID 44546194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).