(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone

C19H12BrN3O — CID 71560087

IUPAC(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cc(Br)ccc2n1-c1ncccn1
InChIInChI=1S/C19H12BrN3O/c20-15-7-8-16-14(11-15)12-17(18(24)13-5-2-1-3-6-13)23(16)19-21-9-4-10-22-19/h1-12H
InChIKeyCHDHEPBQKHNWOC-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.41
Rot. Bonds3

About (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone

(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone (PubChem CID 71560087) has the molecular formula C19H12BrN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
PubChem CID71560087
Molecular FormulaC19H12BrN3O
Molecular Weight378.23 g/mol
Exact Mass377.02
IUPAC Name(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2cc(Br)ccc2n1-c1ncccn1
InChIInChI=1S/C19H12BrN3O/c20-15-7-8-16-14(11-15)12-17(18(24)13-5-2-1-3-6-13)23(16)19-21-9-4-10-22-19/h1-12H
InChIKeyCHDHEPBQKHNWOC-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

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Related Compounds

(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 154713295
(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025830
(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025205
5-bromo-2-prop-2-enyl-1-pyrimidin-2-ylindole
CID 122209133
(5-bromo-2-methylindol-1-yl)-phenylmethanone
CID 67901223
[1-benzoyl-3-(4-bromobenzoyl)indolizin-7-yl]-phenylmethanone
CID 3248899
1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
CID 155205410
3-benzoylindolizine-1-carboxylic acid
CID 71356515
dimethyl 2-(1-pyrimidin-2-ylindol-2-yl)propanedioate
CID 132564908
2-oxo-1-pyrimidin-2-yl-3H-benzimidazole-5-carboxylic acid
CID 110491349
7-bromo-2-[(E)-2-phenylethenyl]-1-pyrimidin-2-ylquinolin-4-one
CID 166443874

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone?
The IUPAC name of (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone (CID 71560087) is (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone.
What is the SMILES notation for (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone?
The canonical SMILES for (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc2cc(Br)ccc2n1-c1ncccn1.
What is the InChIKey of (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone?
The InChIKey is CHDHEPBQKHNWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O/c20-15-7-8-16-14(11-15)12-17(18(24)13-5-2-1-3-6-13)23(16)19-21-9-4-10-22-19/h1-12H.
What are the key properties of (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone?
(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone 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 (5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone is sourced from PubChem (CID 71560087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).