3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide

C25H21N7O — CID 16731561

IUPAC3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H21N7O/c1-15-4-2-7-20(30-15)24-23(16-8-9-19-21(13-16)28-11-10-27-19)31-22(32-24)14-29-18-6-3-5-17(12-18)25(26)33/h2-13,29H,14H2,1H3,(H2,26,33)(H,31,32)
InChIKeyYLBQHEDWGXARHK-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.10
Rot. Bonds6

About 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide

3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide (PubChem CID 16731561) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide
PubChem CID16731561
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide
SMILESCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C25H21N7O/c1-15-4-2-7-20(30-15)24-23(16-8-9-19-21(13-16)28-11-10-27-19)31-22(32-24)14-29-18-6-3-5-17(12-18)25(26)33/h2-13,29H,14H2,1H3,(H2,26,33)(H,31,32)
InChIKeyYLBQHEDWGXARHK-UHFFFAOYSA-N
XLogP4.10
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
The IUPAC name of 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide (CID 16731561) is 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide is Cc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
The InChIKey is YLBQHEDWGXARHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-15-4-2-7-20(30-15)24-23(16-8-9-19-21(13-16)28-11-10-27-19)31-22(32-24)14-29-18-6-3-5-17(12-18)25(26)33/h2-13,29H,14H2,1H3,(H2,26,33)(H,31,32).
What are the key properties of 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide has a molecular weight of 435.49 g/mol, XLogP of 4.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-methyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 16731561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).