2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile

C17H15N5O — CID 99700783

IUPAC2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1CC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C17H15N5O/c1-11-7-13-5-3-4-6-15(13)22(11)17(23)10-21-12(2)20-14(8-18)16(21)9-19/h3-6,11H,7,10H2,1-2H3/t11-/m1/s1
InChIKeyKAHSTAOYGIIMQK-LLVKDONJSA-N
MW305.34 g/mol
LogP1.91
Rot. Bonds2

About 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile

2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile (PubChem CID 99700783) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile
PubChem CID99700783
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile
SMILESCc1nc(C#N)c(C#N)n1CC(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C17H15N5O/c1-11-7-13-5-3-4-6-15(13)22(11)17(23)10-21-12(2)20-14(8-18)16(21)9-19/h3-6,11H,7,10H2,1-2H3/t11-/m1/s1
InChIKeyKAHSTAOYGIIMQK-LLVKDONJSA-N
XLogP1.91
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile with MolForge

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Related Compounds

2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
1-ethyl-3-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 24587457
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3569474
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]benzonitrile
CID 4303205
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 115486453
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
5-bromo-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]indole-3-carbonitrile
CID 41168614
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 29452795
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(2-pentylbenzimidazol-1-yl)ethanone
CID 4055879

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile (CID 99700783) is 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile is Cc1nc(C#N)c(C#N)n1CC(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile?
The InChIKey is KAHSTAOYGIIMQK-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N5O/c1-11-7-13-5-3-4-6-15(13)22(11)17(23)10-21-12(2)20-14(8-18)16(21)9-19/h3-6,11H,7,10H2,1-2H3/t11-/m1/s1.
What are the key properties of 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile?
2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile has a molecular weight of 305.34 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 99700783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).