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

C19H12BrN3O — CID 135025830

IUPAC(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1ccccc1Br)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H12BrN3O/c20-15-8-3-2-7-14(15)18(24)17-12-13-6-1-4-9-16(13)23(17)19-21-10-5-11-22-19/h1-12H
InChIKeyALHQYGBTGTYSEM-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.41
Rot. Bonds3

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

(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 135025830) has the molecular formula C19H12BrN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID135025830
Molecular FormulaC19H12BrN3O
Molecular Weight378.23 g/mol
Exact Mass377.02
IUPAC Name(2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESO=C(c1ccccc1Br)c1cc2ccccc2n1-c1ncccn1
InChIInChI=1S/C19H12BrN3O/c20-15-8-3-2-7-14(15)18(24)17-12-13-6-1-4-9-16(13)23(17)19-21-10-5-11-22-19/h1-12H
InChIKeyALHQYGBTGTYSEM-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

(2-fluorophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 135025205
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 102206318
(3-hydroxyphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
CID 154713295
(5-bromo-1-pyrimidin-2-ylindol-2-yl)-phenylmethanone
CID 71560087
1-(2-chlorophenyl)-2-(1-pyrimidin-2-ylindol-2-yl)ethanone
CID 177414964
N-octyl-1-pyrimidin-2-ylindole-2-carboxamide
CID 142734736
dimethyl 2-(1-pyrimidin-2-ylindol-2-yl)propanedioate
CID 132564908
(2-bromophenyl)-(3-phenyltriazol-4-yl)methanone
CID 114685691
1-[5-(1-pyrimidin-2-ylindol-2-yl)thiophen-2-yl]ethanone
CID 102106744
[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
tert-butyl (E)-3-(1-pyrimidin-2-ylindol-2-yl)prop-2-enoate
CID 102233930
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (CID 135025830) is (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is O=C(c1ccccc1Br)c1cc2ccccc2n1-c1ncccn1.
What is the InChIKey of (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is ALHQYGBTGTYSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3O/c20-15-8-3-2-7-14(15)18(24)17-12-13-6-1-4-9-16(13)23(17)19-21-10-5-11-22-19/h1-12H.
What are the key properties of (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
(2-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 (2-bromophenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 135025830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).