1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one

C25H21NO2 — CID 164961814

IUPAC1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H21NO2/c1-18-11-13-19(14-12-18)15-21(27)16-26-17-23(22-9-5-6-10-24(22)26)25(28)20-7-3-2-4-8-20/h2-14,17H,15-16H2,1H3
InChIKeyBYCQCDGIMQMKHH-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.99
Rot. Bonds6

About 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one

1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one (PubChem CID 164961814) has the molecular formula C25H21NO2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
PubChem CID164961814
Molecular FormulaC25H21NO2
Molecular Weight367.45 g/mol
Exact Mass367.16
IUPAC Name1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one
SMILESCc1ccc(CC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C25H21NO2/c1-18-11-13-19(14-12-18)15-21(27)16-26-17-23(22-9-5-6-10-24(22)26)25(28)20-7-3-2-4-8-20/h2-14,17H,15-16H2,1H3
InChIKeyBYCQCDGIMQMKHH-UHFFFAOYSA-N
XLogP4.99
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
2-(3-benzoylindol-1-yl)-N-propan-2-ylacetamide
CID 972360
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
1-(3-benzoylindol-1-yl)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)butan-2-one
CID 165006415
2-(3-benzoylindol-1-yl)-N-(2,3-dimethylphenyl)acetamide
CID 2953381
2-(3-benzoylindol-1-yl)-N-(4-bromophenyl)acetamide
CID 2953380
(1-butan-2-ylindol-3-yl)-(4-methylphenyl)methanone
CID 170857237
2-[3-(4-chlorobenzoyl)indol-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 164781411
4-[1-[(4-methylphenyl)methyl]indol-3-yl]-2,4-dioxobutanoic acid
CID 73292047
[1-[3-(2-methylphenoxy)propyl]indol-3-yl]-phenylmethanone
CID 4524878

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one (CID 164961814) is 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one is Cc1ccc(CC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one?
The InChIKey is BYCQCDGIMQMKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2/c1-18-11-13-19(14-12-18)15-21(27)16-26-17-23(22-9-5-6-10-24(22)26)25(28)20-7-3-2-4-8-20/h2-14,17H,15-16H2,1H3.
What are the key properties of 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one?
1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one has a molecular weight of 367.45 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzoylindol-1-yl)-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 164961814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).