2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C18H14ClN7O — CID 22496137

IUPAC2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1cccc(Nc2ncnc(-n3c(Cl)nc4ccccc43)n2)c1
InChIInChI=1S/C18H14ClN7O/c19-16-24-13-6-1-2-7-14(13)26(16)18-22-10-21-17(25-18)23-12-5-3-4-11(8-12)9-15(20)27/h1-8,10H,9H2,(H2,20,27)(H,21,22,23,25)
InChIKeyCYVQTYCGCBNZPJ-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.64
Rot. Bonds5

About 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide

2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 22496137) has the molecular formula C18H14ClN7O and a molecular weight of 379.81 g/mol. Its IUPAC name is 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID22496137
Molecular FormulaC18H14ClN7O
Molecular Weight379.81 g/mol
Exact Mass379.09
IUPAC Name2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESNC(=O)Cc1cccc(Nc2ncnc(-n3c(Cl)nc4ccccc43)n2)c1
InChIInChI=1S/C18H14ClN7O/c19-16-24-13-6-1-2-7-14(13)26(16)18-22-10-21-17(25-18)23-12-5-3-4-11(8-12)9-15(20)27/h1-8,10H,9H2,(H2,20,27)(H,21,22,23,25)
InChIKeyCYVQTYCGCBNZPJ-UHFFFAOYSA-N
XLogP2.64
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 22496137) is 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is NC(=O)Cc1cccc(Nc2ncnc(-n3c(Cl)nc4ccccc43)n2)c1.
What is the InChIKey of 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is CYVQTYCGCBNZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O/c19-16-24-13-6-1-2-7-14(13)26(16)18-22-10-21-17(25-18)23-12-5-3-4-11(8-12)9-15(20)27/h1-8,10H,9H2,(H2,20,27)(H,21,22,23,25).
What are the key properties of 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 379.81 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2-chlorobenzimidazol-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 22496137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).