5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one

C14H16BrN3O — CID 134306030

IUPAC5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nc(Br)cn2CC2CC2)cn(C)c1=O
InChIInChI=1S/C14H16BrN3O/c1-9-5-11(7-17(2)14(9)19)13-16-12(15)8-18(13)6-10-3-4-10/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyDLDCZMKJTOJNJU-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.73
Rot. Bonds3

About 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 134306030) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID134306030
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2nc(Br)cn2CC2CC2)cn(C)c1=O
InChIInChI=1S/C14H16BrN3O/c1-9-5-11(7-17(2)14(9)19)13-16-12(15)8-18(13)6-10-3-4-10/h5,7-8,10H,3-4,6H2,1-2H3
InChIKeyDLDCZMKJTOJNJU-UHFFFAOYSA-N
XLogP2.73
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 134306030) is 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one is Cc1cc(-c2nc(Br)cn2CC2CC2)cn(C)c1=O.
What is the InChIKey of 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is DLDCZMKJTOJNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-9-5-11(7-17(2)14(9)19)13-16-12(15)8-18(13)6-10-3-4-10/h5,7-8,10H,3-4,6H2,1-2H3.
What are the key properties of 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 322.21 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-bromo-1-(cyclopropylmethyl)imidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134306030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).