N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide

C25H26N6O — CID 10387752

IUPACN-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)CC1
InChIInChI=1S/C25H26N6O/c1-15-4-3-5-21(28-15)24-23(18-8-11-20-22(14-18)27-13-12-26-20)30-25(31-24)17-6-9-19(10-7-17)29-16(2)32/h3-5,8,11-14,17,19H,6-7,9-10H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyWDETXUVGXDZSND-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.55
Rot. Bonds4

About N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide

N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide (PubChem CID 10387752) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide
PubChem CID10387752
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC NameN-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)CC1
InChIInChI=1S/C25H26N6O/c1-15-4-3-5-21(28-15)24-23(18-8-11-20-22(14-18)27-13-12-26-20)30-25(31-24)17-6-9-19(10-7-17)29-16(2)32/h3-5,8,11-14,17,19H,6-7,9-10H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyWDETXUVGXDZSND-UHFFFAOYSA-N
XLogP4.55
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide?
The IUPAC name of N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide (CID 10387752) is N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide is CC(=O)NC1CCC(c2nc(-c3ccc4nccnc4c3)c(-c3cccc(C)n3)[nH]2)CC1.
What is the InChIKey of N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide?
The InChIKey is WDETXUVGXDZSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-15-4-3-5-21(28-15)24-23(18-8-11-20-22(14-18)27-13-12-26-20)30-25(31-24)17-6-9-19(10-7-17)29-16(2)32/h3-5,8,11-14,17,19H,6-7,9-10H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide?
N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide has a molecular weight of 426.52 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]cyclohexyl]acetamide is sourced from PubChem (CID 10387752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).