1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone

C20H19N3O — CID 134125020

IUPAC1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone
SMILESCC(=O)n1c2ccccc2c2[nH]c(-c3ccc(C(C)C)cc3)nc21
InChIInChI=1S/C20H19N3O/c1-12(2)14-8-10-15(11-9-14)19-21-18-16-6-4-5-7-17(16)23(13(3)24)20(18)22-19/h4-12H,1-3H3,(H,21,22)
InChIKeyRATYYWGLUHGSHW-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.97
Rot. Bonds2

About 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone

1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone (PubChem CID 134125020) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone
PubChem CID134125020
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone
SMILESCC(=O)n1c2ccccc2c2[nH]c(-c3ccc(C(C)C)cc3)nc21
InChIInChI=1S/C20H19N3O/c1-12(2)14-8-10-15(11-9-14)19-21-18-16-6-4-5-7-17(16)23(13(3)24)20(18)22-19/h4-12H,1-3H3,(H,21,22)
InChIKeyRATYYWGLUHGSHW-UHFFFAOYSA-N
XLogP4.97
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone 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

1-(3-methyl-2-sulfanylidene-1H-imidazo[4,5-b]indol-4-yl)ethanone
CID 3505189
1-carbazol-9-ylethanone;ethane
CID 142183368
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
1-([1,2,5]oxadiazolo[3,4-b]indol-4-yl)ethanone
CID 71357535
1-[2-(propan-2-ylamino)-[1,3]thiazolo[5,4-b]indol-4-yl]ethanone
CID 658168
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoic acid
CID 46865048
1-(4-propan-2-ylbenzoyl)indole-3-carbonitrile
CID 91689416
2-phenyl-6-propan-2-yl-3H-quinazolin-4-one
CID 176911970
1-acetyl-2-chloroindole-3-carbonitrile
CID 67060642
methyl 4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzoate
CID 102508548
acetic acid;cumene
CID 172767405
9-(4-propan-2-ylphenyl)-3-[3-[9-[9-(4-propan-2-ylphenyl)carbazol-3-yl]carbazol-3-yl]carbazol-9-yl]carbazole
CID 71232684

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone (CID 134125020) is 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone is CC(=O)n1c2ccccc2c2[nH]c(-c3ccc(C(C)C)cc3)nc21.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone?
The InChIKey is RATYYWGLUHGSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-12(2)14-8-10-15(11-9-14)19-21-18-16-6-4-5-7-17(16)23(13(3)24)20(18)22-19/h4-12H,1-3H3,(H,21,22).
What are the key properties of 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone?
1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)-1H-imidazo[4,5-b]indol-4-yl]ethanone is sourced from PubChem (CID 134125020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).