(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone

C25H25NO2 — CID 70312387

IUPAC(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone
SMILESCC(C)C1C(C(=O)c2ccccc2)c2cc(O)ccc2N1Cc1ccccc1
InChIInChI=1S/C25H25NO2/c1-17(2)24-23(25(28)19-11-7-4-8-12-19)21-15-20(27)13-14-22(21)26(24)16-18-9-5-3-6-10-18/h3-15,17,23-24,27H,16H2,1-2H3
InChIKeyHNDSULPQFJFWJW-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.40
Rot. Bonds5

About (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone

(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone (PubChem CID 70312387) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone
PubChem CID70312387
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone
SMILESCC(C)C1C(C(=O)c2ccccc2)c2cc(O)ccc2N1Cc1ccccc1
InChIInChI=1S/C25H25NO2/c1-17(2)24-23(25(28)19-11-7-4-8-12-19)21-15-20(27)13-14-22(21)26(24)16-18-9-5-3-6-10-18/h3-15,17,23-24,27H,16H2,1-2H3
InChIKeyHNDSULPQFJFWJW-UHFFFAOYSA-N
XLogP5.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-5-hydroxy-1H-indol-2-one
CID 122182244
(3Z)-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]-5-hydroxy-1H-indol-2-one
CID 122182253
Uvarindole D
CID 180620
5-Hydroxy-2-(2-propan-2-ylphenyl)isoindole-1,3-dione
CID 44443648
5-Hydroxy-1,3-dimethyl-1,3-dihydro-2H-indol-2-one
CID 600894
1-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-5-hydroxy-3H-indol-2-one
CID 58172371
(2-fluorophenyl)-(5-hydroxy-1'-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 59003905
2-(4-fluorophenyl)-6-hydroxy-3-[(4-hydroxyphenyl)methyl]-3H-isoindol-1-one
CID 59981204
(2-fluorophenyl)-(5-hydroxy-2-prop-2-enylspiro[2H-indole-3,4'-piperidine]-1-yl)methanone
CID 69562250
N-butyl-2-[2,2-diethyl-1-(3-fluorobenzoyl)-5-hydroxy-3H-indol-3-yl]acetamide
CID 69575761
1-[(2,4-difluorophenyl)methyl]-7-hydroxy-3,4-dimethyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 123593496
N-[(3,4-difluorophenyl)methyl]-5-hydroxy-2-methyl-1-phenyl-2,3-dihydroindole-3-carboxamide
CID 143527684

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone (CID 70312387) is (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone is CC(C)C1C(C(=O)c2ccccc2)c2cc(O)ccc2N1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
The InChIKey is HNDSULPQFJFWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17(2)24-23(25(28)19-11-7-4-8-12-19)21-15-20(27)13-14-22(21)26(24)16-18-9-5-3-6-10-18/h3-15,17,23-24,27H,16H2,1-2H3.
What are the key properties of (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone?
(1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone has a molecular weight of 371.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-hydroxy-2-propan-2-yl-2,3-dihydroindol-3-yl)-phenylmethanone is sourced from PubChem (CID 70312387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).