2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile

C19H15N3 — CID 177391773

IUPAC2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile
SMILESCc1ccccc1C(c1c[nH]c2ccccc12)C(C#N)C#N
InChIInChI=1S/C19H15N3/c1-13-6-2-3-7-15(13)19(14(10-20)11-21)17-12-22-18-9-5-4-8-16(17)18/h2-9,12,14,19,22H,1H3
InChIKeyQWSVBFHGEYEIRP-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.27
Rot. Bonds3

About 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile

2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile (PubChem CID 177391773) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile.

Molecular Properties

Compound Name2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile
PubChem CID177391773
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile
SMILESCc1ccccc1C(c1c[nH]c2ccccc12)C(C#N)C#N
InChIInChI=1S/C19H15N3/c1-13-6-2-3-7-15(13)19(14(10-20)11-21)17-12-22-18-9-5-4-8-16(17)18/h2-9,12,14,19,22H,1H3
InChIKeyQWSVBFHGEYEIRP-UHFFFAOYSA-N
XLogP4.27
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]propanedinitrile
CID 24885114
3-[methoxy-(2-methylphenyl)methyl]-1H-indole
CID 70574632
3-propan-2-yl-1H-indole
CID 12534824
2-[amino(1H-indol-3-yl)methyl]-3-methylbutanenitrile
CID 116946345
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988
2-(2-hydroxy-3-methylphenyl)-2-(1H-indol-3-yl)acetamide
CID 91366447
3-(1H-indol-3-yl)-2-(2-methylphenyl)propan-1-amine
CID 82091562
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
1-(1H-indol-3-yl)-N-methyl-1-phenylmethanamine
CID 11322318
(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
ethyl 2-cyano-3-(1H-indol-3-yl)-3-(4-nitrophenyl)propanoate
CID 102343294

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile?
The IUPAC name of 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile (CID 177391773) is 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile.
What is the SMILES notation for 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile?
The canonical SMILES for 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile is Cc1ccccc1C(c1c[nH]c2ccccc12)C(C#N)C#N.
What is the InChIKey of 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile?
The InChIKey is QWSVBFHGEYEIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-13-6-2-3-7-15(13)19(14(10-20)11-21)17-12-22-18-9-5-4-8-16(17)18/h2-9,12,14,19,22H,1H3.
What are the key properties of 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile?
2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile has a molecular weight of 285.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-3-yl-(2-methylphenyl)methyl]propanedinitrile is sourced from PubChem (CID 177391773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).