3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide

C17H13N7O2 — CID 23535821

IUPAC3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)c1
InChIInChI=1S/C17H13N7O2/c18-14(25)10-4-3-5-11(8-10)21-15-19-9-20-16(23-15)24-13-7-2-1-6-12(13)22-17(24)26/h1-9H,(H2,18,25)(H,22,26)(H,19,20,21,23)
InChIKeyXGDNIGONQVZVHK-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.35
Rot. Bonds4

About 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide

3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 23535821) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID23535821
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)c1
InChIInChI=1S/C17H13N7O2/c18-14(25)10-4-3-5-11(8-10)21-15-19-9-20-16(23-15)24-13-7-2-1-6-12(13)22-17(24)26/h1-9H,(H2,18,25)(H,22,26)(H,19,20,21,23)
InChIKeyXGDNIGONQVZVHK-UHFFFAOYSA-N
XLogP1.35
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (CID 23535821) is 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)c1.
What is the InChIKey of 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is XGDNIGONQVZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2/c18-14(25)10-4-3-5-11(8-10)21-15-19-9-20-16(23-15)24-13-7-2-1-6-12(13)22-17(24)26/h1-9H,(H2,18,25)(H,22,26)(H,19,20,21,23).
What are the key properties of 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 347.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 23535821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).