(3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone

C15H10BrN3O — CID 3302407

IUPAC(3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1nccn1-c1ccccn1
InChIInChI=1S/C15H10BrN3O/c16-12-5-3-4-11(10-12)14(20)15-18-8-9-19(15)13-6-1-2-7-17-13/h1-10H
InChIKeyXKSOYKPFJWARLP-UHFFFAOYSA-N
MW328.17 g/mol
LogP3.26
Rot. Bonds3

About (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone

(3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone (PubChem CID 3302407) has the molecular formula C15H10BrN3O and a molecular weight of 328.17 g/mol. Its IUPAC name is (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone
PubChem CID3302407
Molecular FormulaC15H10BrN3O
Molecular Weight328.17 g/mol
Exact Mass327.00
IUPAC Name(3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1nccn1-c1ccccn1
InChIInChI=1S/C15H10BrN3O/c16-12-5-3-4-11(10-12)14(20)15-18-8-9-19(15)13-6-1-2-7-17-13/h1-10H
InChIKeyXKSOYKPFJWARLP-UHFFFAOYSA-N
XLogP3.26
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone (CID 3302407) is (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone is O=C(c1cccc(Br)c1)c1nccn1-c1ccccn1.
What is the InChIKey of (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
The InChIKey is XKSOYKPFJWARLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN3O/c16-12-5-3-4-11(10-12)14(20)15-18-8-9-19(15)13-6-1-2-7-17-13/h1-10H.
What are the key properties of (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone?
(3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone has a molecular weight of 328.17 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(1-pyridin-2-ylimidazol-2-yl)methanone is sourced from PubChem (CID 3302407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).