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

C17H13N7O2 — CID 23536015

IUPAC4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)cc1
InChIInChI=1S/C17H13N7O2/c18-14(25)10-5-7-11(8-6-10)21-15-19-9-20-16(23-15)24-13-4-2-1-3-12(13)22-17(24)26/h1-9H,(H2,18,25)(H,22,26)(H,19,20,21,23)
InChIKeyOOZYOQQYIHIMPV-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.35
Rot. Bonds4

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

4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 23536015) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID23536015
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
SMILESNC(=O)c1ccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)cc1
InChIInChI=1S/C17H13N7O2/c18-14(25)10-5-7-11(8-6-10)21-15-19-9-20-16(23-15)24-13-4-2-1-3-12(13)22-17(24)26/h1-9H,(H2,18,25)(H,22,26)(H,19,20,21,23)
InChIKeyOOZYOQQYIHIMPV-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 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide (CID 23536015) is 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is NC(=O)c1ccc(Nc2ncnc(-n3c(=O)[nH]c4ccccc43)n2)cc1.
What is the InChIKey of 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is OOZYOQQYIHIMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2/c18-14(25)10-5-7-11(8-6-10)21-15-19-9-20-16(23-15)24-13-4-2-1-3-12(13)22-17(24)26/h1-9H,(H2,18,25)(H,22,26)(H,19,20,21,23).
What are the key properties of 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide?
4-[[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 4-[[4-(2-oxo-3H-benzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 23536015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).