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

C25H19ClN4 — CID 141252966

IUPAC4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C25H19ClN4/c1-16-6-4-11-22(28-16)25-24(20-12-13-27-21-10-3-2-9-19(20)21)29-23(30-25)15-17-7-5-8-18(26)14-17/h2-14H,15H2,1H3,(H,29,30)
InChIKeyKLNXDASXSOHLAJ-UHFFFAOYSA-N
MW410.91 g/mol
LogP6.24
Rot. Bonds4

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

4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (PubChem CID 141252966) has the molecular formula C25H19ClN4 and a molecular weight of 410.91 g/mol. Its IUPAC name is 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
PubChem CID141252966
Molecular FormulaC25H19ClN4
Molecular Weight410.91 g/mol
Exact Mass410.13
IUPAC Name4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
SMILESCc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccnc3ccccc23)n1
InChIInChI=1S/C25H19ClN4/c1-16-6-4-11-22(28-16)25-24(20-12-13-27-21-10-3-2-9-19(20)21)29-23(30-25)15-17-7-5-8-18(26)14-17/h2-14H,15H2,1H3,(H,29,30)
InChIKeyKLNXDASXSOHLAJ-UHFFFAOYSA-N
XLogP6.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.91
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-2-methylquinoline
CID 44546194
6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545647
2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
CID 59160535
2-[4-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine;2-[4-(1,3-benzodioxol-5-yl)-2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]-6-methylpyridine
CID 159425847
6-[2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545580
4-[[5-(6-methyl-2-pyridinyl)-4-quinolin-6-yl-1H-imidazol-2-yl]methyl]phenol
CID 59869021
2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
CID 143908446
6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
CID 70234717
2-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
CID 44546006
6-[5-(6-methyl-2-pyridinyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-imidazol-4-yl]quinoline
CID 44546002
6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59869013
6-[2-[[4-fluoro-3-(2H-tetrazol-5-yl)phenyl]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59160543

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline (CID 141252966) is 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is Cc1cccc(-c2[nH]c(Cc3cccc(Cl)c3)nc2-c2ccnc3ccccc23)n1.
What is the InChIKey of 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is KLNXDASXSOHLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4/c1-16-6-4-11-22(28-16)25-24(20-12-13-27-21-10-3-2-9-19(20)21)29-23(30-25)15-17-7-5-8-18(26)14-17/h2-14H,15H2,1H3,(H,29,30).
What are the key properties of 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline?
4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 410.91 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-chlorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 141252966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).