(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone

C24H19N3O2 — CID 112526940

IUPAC(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone
SMILESNc1cn(C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc12
InChIInChI=1S/C24H19N3O2/c25-20-14-27(23-9-5-4-8-19(20)23)24(28)22-12-17-10-11-18(13-21(17)26-22)29-15-16-6-2-1-3-7-16/h1-14,26H,15,25H2
InChIKeyRTBLYEMYWJYQHF-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.97
Rot. Bonds4

About (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone

(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone (PubChem CID 112526940) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone
PubChem CID112526940
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone
SMILESNc1cn(C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc12
InChIInChI=1S/C24H19N3O2/c25-20-14-27(23-9-5-4-8-19(20)23)24(28)22-12-17-10-11-18(13-21(17)26-22)29-15-16-6-2-1-3-7-16/h1-14,26H,15,25H2
InChIKeyRTBLYEMYWJYQHF-UHFFFAOYSA-N
XLogP4.97
TPSA73.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone 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

(6-phenylmethoxy-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 47839341
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
N-(N'-methylcarbamimidoyl)-6-phenylmethoxy-1H-indole-2-carboxamide;hydrochloride
CID 70214874
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
N-(2,5-dimethylphenyl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520813
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
N-(1H-imidazol-2-yl)-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112524377
[5-[(E)-hydroxyiminomethyl]furan-2-yl]methyl 6-phenylmethoxy-1H-indole-2-carboxylate
CID 25029504
6-phenylmethoxy-N-(thiophen-2-ylmethyl)-1H-indole-2-carboxamide
CID 112522105
N-[4-(dimethylamino)phenyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112520492
N-[2-(4-chlorophenyl)ethyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112529043
2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590

Frequently Asked Questions

What is the IUPAC name of (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone?
The IUPAC name of (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone (CID 112526940) is (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone?
The canonical SMILES for (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone is Nc1cn(C(=O)c2cc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc12.
What is the InChIKey of (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone?
The InChIKey is RTBLYEMYWJYQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c25-20-14-27(23-9-5-4-8-19(20)23)24(28)22-12-17-10-11-18(13-21(17)26-22)29-15-16-6-2-1-3-7-16/h1-14,26H,15,25H2.
What are the key properties of (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone?
(3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone has a molecular weight of 381.44 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoindol-1-yl)-(6-phenylmethoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 112526940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).