4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide

C27H24N6O — CID 11518009

IUPAC4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
SMILESCCCc1cccc(-c2[nH]c(Cc3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H24N6O/c1-2-4-20-5-3-6-22(31-20)26-25(19-11-12-21-23(16-19)30-14-13-29-21)32-24(33-26)15-17-7-9-18(10-8-17)27(28)34/h3,5-14,16H,2,4,15H2,1H3,(H2,28,34)(H,32,33)
InChIKeyJXNOMTKASSXABQ-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.72
Rot. Bonds7

About 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide

4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide (PubChem CID 11518009) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
PubChem CID11518009
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
SMILESCCCc1cccc(-c2[nH]c(Cc3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C27H24N6O/c1-2-4-20-5-3-6-22(31-20)26-25(19-11-12-21-23(16-19)30-14-13-29-21)32-24(33-26)15-17-7-9-18(10-8-17)27(28)34/h3,5-14,16H,2,4,15H2,1H3,(H2,28,34)(H,32,33)
InChIKeyJXNOMTKASSXABQ-UHFFFAOYSA-N
XLogP4.72
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]ethyl]benzenesulfonamide
CID 25270969
2-methyl-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzonitrile
CID 143908446
2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenol
CID 59160535
4-[[4-(3-methoxyphenyl)-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]benzamide
CID 59767776
6-[2-[(3-bromo-4-fluorophenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoxaline
CID 44545647
6-[5-(6-methyl-2-pyridinyl)-2-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]-1H-imidazol-4-yl]quinoxaline
CID 70234717
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-[2-fluoro-5-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]phenoxy]ethanol
CID 44546006
6-[2-(2-phenylethyl)-5-pyridin-2-yl-1H-imidazol-4-yl]quinoxaline
CID 25270628
4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide
CID 137394108
6-[2-[(4-methoxyphenyl)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 59869013

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide (CID 11518009) is 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide is CCCc1cccc(-c2[nH]c(Cc3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
The InChIKey is JXNOMTKASSXABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-2-4-20-5-3-6-22(31-20)26-25(19-11-12-21-23(16-19)30-14-13-29-21)32-24(33-26)15-17-7-9-18(10-8-17)27(28)34/h3,5-14,16H,2,4,15H2,1H3,(H2,28,34)(H,32,33).
What are the key properties of 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide?
4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide has a molecular weight of 448.53 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 11518009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).