[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone

C12H13N3O — CID 110463462

IUPAC[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
SMILESCN(C)c1ccccc1C(=O)n1ccnc1
InChIInChI=1S/C12H13N3O/c1-14(2)11-6-4-3-5-10(11)12(16)15-8-7-13-9-15/h3-9H,1-2H3
InChIKeyRVJTUHNONYNIFF-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.64
Rot. Bonds2

About [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone

[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone (PubChem CID 110463462) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
PubChem CID110463462
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone
SMILESCN(C)c1ccccc1C(=O)n1ccnc1
InChIInChI=1S/C12H13N3O/c1-14(2)11-6-4-3-5-10(11)12(16)15-8-7-13-9-15/h3-9H,1-2H3
InChIKeyRVJTUHNONYNIFF-UHFFFAOYSA-N
XLogP1.64
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
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imidazol-1-yl-[2-(trifluoromethyl)phenyl]methanone
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hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
[2-(hydroxymethyl)-3-pyridinyl]-imidazol-1-ylmethanone
CID 147710275
imidazol-1-yl-(2-octadecoxyphenyl)methanone
CID 58661296
imidazol-1-yl-(2-phenyl-1H-benzimidazol-4-yl)methanone
CID 69453516
imidazol-1-yl-[2-[4-(trifluoromethyl)phenyl]phenyl]methanone
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N-[4-(dimethylamino)phenyl]imidazole-1-carboxamide
CID 81257453

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone?
The IUPAC name of [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone (CID 110463462) is [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone?
The canonical SMILES for [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone is CN(C)c1ccccc1C(=O)n1ccnc1.
What is the InChIKey of [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone?
The InChIKey is RVJTUHNONYNIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-14(2)11-6-4-3-5-10(11)12(16)15-8-7-13-9-15/h3-9H,1-2H3.
What are the key properties of [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone?
[2-(dimethylamino)phenyl]-imidazol-1-ylmethanone has a molecular weight of 215.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)phenyl]-imidazol-1-ylmethanone is sourced from PubChem (CID 110463462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).