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

C26H23N7O — CID 16731562

IUPAC3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide
SMILESCCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H23N7O/c1-2-18-6-4-8-21(31-18)25-24(16-9-10-20-22(14-16)29-12-11-28-20)32-23(33-25)15-30-19-7-3-5-17(13-19)26(27)34/h3-14,30H,2,15H2,1H3,(H2,27,34)(H,32,33)
InChIKeyIUXQTYXPFCWQNT-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.36
Rot. Bonds7

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

3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide (PubChem CID 16731562) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide.

Molecular Properties

Compound Name3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide
PubChem CID16731562
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide
SMILESCCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C26H23N7O/c1-2-18-6-4-8-21(31-18)25-24(16-9-10-20-22(14-16)29-12-11-28-20)32-23(33-25)15-30-19-7-3-5-17(13-19)26(27)34/h3-14,30H,2,15H2,1H3,(H2,27,34)(H,32,33)
InChIKeyIUXQTYXPFCWQNT-UHFFFAOYSA-N
XLogP4.36
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
The IUPAC name of 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide (CID 16731562) is 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide.
What is the SMILES notation for 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
The canonical SMILES for 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide is CCc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
The InChIKey is IUXQTYXPFCWQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-2-18-6-4-8-21(31-18)25-24(16-9-10-20-22(14-16)29-12-11-28-20)32-23(33-25)15-30-19-7-3-5-17(13-19)26(27)34/h3-14,30H,2,15H2,1H3,(H2,27,34)(H,32,33).
What are the key properties of 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide?
3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide has a molecular weight of 449.52 g/mol, XLogP of 4.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(6-ethyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methylamino]benzamide is sourced from PubChem (CID 16731562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).