3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile

C28H28N6O2 — CID 70203843

IUPAC3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile
SMILESCc1[nH]c2ccccc2c1-n1c(C#N)c(-c2c(CCCN3CCOCC3)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C28H28N6O2/c1-18-27(20-8-3-5-10-22(20)30-18)34-24(17-29)26(32-28(34)35)25-19-7-2-4-9-21(19)31-23(25)11-6-12-33-13-15-36-16-14-33/h2-5,7-10,30-31H,6,11-16H2,1H3,(H,32,35)
InChIKeyQOWNZUAUEJVXDI-UHFFFAOYSA-N
MW480.57 g/mol
LogP4.24
Rot. Bonds6

About 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile

3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile (PubChem CID 70203843) has the molecular formula C28H28N6O2 and a molecular weight of 480.57 g/mol. Its IUPAC name is 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile
PubChem CID70203843
Molecular FormulaC28H28N6O2
Molecular Weight480.57 g/mol
Exact Mass480.23
IUPAC Name3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile
SMILESCc1[nH]c2ccccc2c1-n1c(C#N)c(-c2c(CCCN3CCOCC3)[nH]c3ccccc23)[nH]c1=O
InChIInChI=1S/C28H28N6O2/c1-18-27(20-8-3-5-10-22(20)30-18)34-24(17-29)26(32-28(34)35)25-19-7-2-4-9-21(19)31-23(25)11-6-12-33-13-15-36-16-14-33/h2-5,7-10,30-31H,6,11-16H2,1H3,(H,32,35)
InChIKeyQOWNZUAUEJVXDI-UHFFFAOYSA-N
XLogP4.24
TPSA105.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-(aminomethyl)-3-methylbutyl]-1H-indol-3-yl]-3-(2-methyl-1H-indol-3-yl)-2-oxo-1H-imidazole-4-carbonitrile
CID 70198535
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
1-(2-methyl-1H-indol-3-yl)-2-morpholin-4-ylethanone
CID 718235
3-morpholin-4-yl-1-oxo-5,10-dihydro-2H-azepino[3,4-b]indole-4-carbonitrile
CID 10709924
4-[(2R)-2-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]morpholine
CID 97128541
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
CID 807407
9H-carbazole;4-methylmorpholine
CID 175233361
4-[3-(3-methyl-1-benzothiophen-2-yl)propyl]morpholine
CID 170870860
2-amino-3-(3-morpholin-4-ylpropylamino)benzonitrile
CID 104716278
3-[(2-morpholin-4-ylethylamino)methyl]-4-oxo-1H-quinoline-2-carboxylic acid;hydrochloride
CID 161498572

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile?
The IUPAC name of 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile (CID 70203843) is 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile.
What is the SMILES notation for 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile?
The canonical SMILES for 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile is Cc1[nH]c2ccccc2c1-n1c(C#N)c(-c2c(CCCN3CCOCC3)[nH]c3ccccc23)[nH]c1=O.
What is the InChIKey of 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile?
The InChIKey is QOWNZUAUEJVXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O2/c1-18-27(20-8-3-5-10-22(20)30-18)34-24(17-29)26(32-28(34)35)25-19-7-2-4-9-21(19)31-23(25)11-6-12-33-13-15-36-16-14-33/h2-5,7-10,30-31H,6,11-16H2,1H3,(H,32,35).
What are the key properties of 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile?
3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile has a molecular weight of 480.57 g/mol, XLogP of 4.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1H-indol-3-yl)-5-[2-(3-morpholin-4-ylpropyl)-1H-indol-3-yl]-2-oxo-1H-imidazole-4-carbonitrile is sourced from PubChem (CID 70203843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).