imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone

C13H11N5O — CID 118869797

IUPACimidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)n2ccnc2)c1
InChIInChI=1S/C13H11N5O/c1-10-2-3-12(18-15-4-5-16-18)11(8-10)13(19)17-7-6-14-9-17/h2-9H,1H3
InChIKeyUSJXILKDDNBKEA-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.46
Rot. Bonds2

About imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone

imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone (PubChem CID 118869797) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Nameimidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
PubChem CID118869797
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Nameimidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone
SMILESCc1ccc(-n2nccn2)c(C(=O)n2ccnc2)c1
InChIInChI=1S/C13H11N5O/c1-10-2-3-12(18-15-4-5-16-18)11(8-10)13(19)17-7-6-14-9-17/h2-9H,1H3
InChIKeyUSJXILKDDNBKEA-UHFFFAOYSA-N
XLogP1.46
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone (CID 118869797) is imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone is Cc1ccc(-n2nccn2)c(C(=O)n2ccnc2)c1.
What is the InChIKey of imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
The InChIKey is USJXILKDDNBKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-10-2-3-12(18-15-4-5-16-18)11(8-10)13(19)17-7-6-14-9-17/h2-9H,1H3.
What are the key properties of imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone?
imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone has a molecular weight of 253.27 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-[5-methyl-2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 118869797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).