(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

C25H20N2O2 — CID 160518033

IUPAC(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESCC1=NCc2ccc(C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)cc21
InChIInChI=1S/C25H20N2O2/c1-16-22-12-18(7-8-19(22)14-26-16)25(28)24-13-20-11-21(9-10-23(20)27-24)29-15-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3
InChIKeyQTXIZTMCJVDQQH-UHFFFAOYSA-N
MW380.45 g/mol
LogP5.30
Rot. Bonds5

About (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone

(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 160518033) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID160518033
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
SMILESCC1=NCc2ccc(C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)cc21
InChIInChI=1S/C25H20N2O2/c1-16-22-12-18(7-8-19(22)14-26-16)25(28)24-13-20-11-21(9-10-23(20)27-24)29-15-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3
InChIKeyQTXIZTMCJVDQQH-UHFFFAOYSA-N
XLogP5.30
TPSA54.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone with MolForge

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Related Compounds

bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
[4-(2-methylphenyl)piperazin-1-yl]-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 1279407
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
6-phenylmethoxy-3H-isoindol-1-amine
CID 160873033
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 67870554
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone (CID 160518033) is (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone is CC1=NCc2ccc(C(=O)c3cc4cc(OCc5ccccc5)ccc4[nH]3)cc21.
What is the InChIKey of (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is QTXIZTMCJVDQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-16-22-12-18(7-8-19(22)14-26-16)25(28)24-13-20-11-21(9-10-23(20)27-24)29-15-17-5-3-2-4-6-17/h2-13,27H,14-15H2,1H3.
What are the key properties of (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone?
(3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 380.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1H-isoindol-5-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 160518033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).