hydron;imidazol-1-yl(phenyl)methanone

C10H9N2O+ — CID 131844425

IUPAChydron;imidazol-1-yl(phenyl)methanone
SMILESO=C(c1ccccc1)n1ccnc1.[H+]
InChIInChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H/p+1
InChIKeyJEGIFBGJZPYMJS-UHFFFAOYSA-O
MW173.19 g/mol
LogP1.68
Rot. Bonds1

About hydron;imidazol-1-yl(phenyl)methanone

hydron;imidazol-1-yl(phenyl)methanone (PubChem CID 131844425) has the molecular formula C10H9N2O+ and a molecular weight of 173.19 g/mol. Its IUPAC name is hydron;imidazol-1-yl(phenyl)methanone.

Molecular Properties

Compound Namehydron;imidazol-1-yl(phenyl)methanone
PubChem CID131844425
Molecular FormulaC10H9N2O+
Molecular Weight173.19 g/mol
Exact Mass173.07
IUPAC Namehydron;imidazol-1-yl(phenyl)methanone
SMILESO=C(c1ccccc1)n1ccnc1.[H+]
InChIInChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H/p+1
InChIKeyJEGIFBGJZPYMJS-UHFFFAOYSA-O
XLogP1.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-(imidazole-1-carbonyl)phenyl]phenyl]-imidazol-1-ylmethanone
CID 59566547
imidazol-1-yl-(4-pyridin-2-ylphenyl)methanone
CID 110464843
2-hydroxy-2-[4-(imidazole-1-carbonyl)phenyl]-2-phenylacetaldehyde
CID 139783535
(4-ethenylphenyl)-imidazol-1-ylmethanone
CID 140908417
(2E)-2-hydroxyimino-1-imidazol-1-yl-2-phenylethanone
CID 172643585
imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
CID 110464340
[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
CID 110463462
imidazol-1-yl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 175068072
(5-bromo-3-pyridinyl)-imidazol-1-ylmethanone
CID 110465025
acridin-4-yl(imidazol-1-yl)methanone
CID 10849851
1-[4-(imidazole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 5160516
imidazol-1-yl(1H-indazol-3-yl)methanone
CID 10560470

Frequently Asked Questions

What is the IUPAC name of hydron;imidazol-1-yl(phenyl)methanone?
The IUPAC name of hydron;imidazol-1-yl(phenyl)methanone (CID 131844425) is hydron;imidazol-1-yl(phenyl)methanone.
What is the SMILES notation for hydron;imidazol-1-yl(phenyl)methanone?
The canonical SMILES for hydron;imidazol-1-yl(phenyl)methanone is O=C(c1ccccc1)n1ccnc1.[H+].
What is the InChIKey of hydron;imidazol-1-yl(phenyl)methanone?
The InChIKey is JEGIFBGJZPYMJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8N2O/c13-10(12-7-6-11-8-12)9-4-2-1-3-5-9/h1-8H/p+1.
What are the key properties of hydron;imidazol-1-yl(phenyl)methanone?
hydron;imidazol-1-yl(phenyl)methanone has a molecular weight of 173.19 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;imidazol-1-yl(phenyl)methanone is sourced from PubChem (CID 131844425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).