1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile

C15H14N4 — CID 107919030

IUPAC1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCCn1ccnc1
InChIInChI=1S/C15H14N4/c16-11-13-3-1-4-15-14(13)5-9-19(15)8-2-7-18-10-6-17-12-18/h1,3-6,9-10,12H,2,7-8H2
InChIKeyJDJDHKDLXRKOQU-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile

1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile (PubChem CID 107919030) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile
PubChem CID107919030
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2CCCn1ccnc1
InChIInChI=1S/C15H14N4/c16-11-13-3-1-4-15-14(13)5-9-19(15)8-2-7-18-10-6-17-12-18/h1,3-6,9-10,12H,2,7-8H2
InChIKeyJDJDHKDLXRKOQU-UHFFFAOYSA-N
XLogP2.80
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile (CID 107919030) is 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile is N#Cc1cccc2c1ccn2CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile?
The InChIKey is JDJDHKDLXRKOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c16-11-13-3-1-4-15-14(13)5-9-19(15)8-2-7-18-10-6-17-12-18/h1,3-6,9-10,12H,2,7-8H2.
What are the key properties of 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile?
1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile has a molecular weight of 250.31 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)indole-4-carbonitrile is sourced from PubChem (CID 107919030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).