(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

C20H15N3O — CID 102206318

IUPAC(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3n2-c2ncccn2)cc1
InChIInChI=1S/C20H15N3O/c1-14-7-9-15(10-8-14)19(24)18-13-16-5-2-3-6-17(16)23(18)20-21-11-4-12-22-20/h2-13H,1H3
InChIKeyVONUFRKWYOFXGG-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.96
Rot. Bonds3

About (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (PubChem CID 102206318) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.

Molecular Properties

Compound Name(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
PubChem CID102206318
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone
SMILESCc1ccc(C(=O)c2cc3ccccc3n2-c2ncccn2)cc1
InChIInChI=1S/C20H15N3O/c1-14-7-9-15(10-8-14)19(24)18-13-16-5-2-3-6-17(16)23(18)20-21-11-4-12-22-20/h2-13H,1H3
InChIKeyVONUFRKWYOFXGG-UHFFFAOYSA-N
XLogP3.96
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The IUPAC name of (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone (CID 102206318) is (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone.
What is the SMILES notation for (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The canonical SMILES for (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is Cc1ccc(C(=O)c2cc3ccccc3n2-c2ncccn2)cc1.
What is the InChIKey of (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
The InChIKey is VONUFRKWYOFXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-7-9-15(10-8-14)19(24)18-13-16-5-2-3-6-17(16)23(18)20-21-11-4-12-22-20/h2-13H,1H3.
What are the key properties of (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone?
(4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone is sourced from PubChem (CID 102206318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).