(3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

C19H12BrN3O — CID 154715201

IUPAC(3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H12BrN3O/c20-15-7-3-6-14(11-15)18(24)17-12-13-5-1-2-8-16(13)23(17)19-21-9-4-10-22-19/h1-12H
InChIKeyDUJKPNLWIJRNJH-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.41
Rot. Bonds3

About (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

(3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 154715201) has the molecular formula C19H12BrN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID154715201
Molecular FormulaC19H12BrN3O
Molecular Weight378.23 g/mol
Exact Mass377.02
IUPAC Name(3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1cccc(Br)c1)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H12BrN3O/c20-15-7-3-6-14(11-15)18(24)17-12-13-5-1-2-8-16(13)23(17)19-21-9-4-10-22-19/h1-12H
InChIKeyDUJKPNLWIJRNJH-UHFFFAOYSA-N
XLogP4.41
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (CID 154715201) is (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is O=C(c1cccc(Br)c1)c1cc2ccccc2n1-c1ncccn1.
What is the InChIKey of (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is DUJKPNLWIJRNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O/c20-15-7-3-6-14(11-15)18(24)17-12-13-5-1-2-8-16(13)23(17)19-21-9-4-10-22-19/h1-12H.
What are the key properties of (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
(3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone has a molecular weight of 378.23 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 154715201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).