1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile

C13H10N4 — CID 162351393

IUPAC1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3cnc[nH]3)c2c1
InChIInChI=1S/C13H10N4/c14-6-10-1-2-11-3-4-17(13(11)5-10)8-12-7-15-9-16-12/h1-5,7,9H,8H2,(H,15,16)
InChIKeyHCEATGWWSNQNQG-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.28
Rot. Bonds2

About 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile

1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile (PubChem CID 162351393) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile.

Molecular Properties

Compound Name1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile
PubChem CID162351393
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile
SMILESN#Cc1ccc2ccn(Cc3cnc[nH]3)c2c1
InChIInChI=1S/C13H10N4/c14-6-10-1-2-11-3-4-17(13(11)5-10)8-12-7-15-9-16-12/h1-5,7,9H,8H2,(H,15,16)
InChIKeyHCEATGWWSNQNQG-UHFFFAOYSA-N
XLogP2.28
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile?
The IUPAC name of 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile (CID 162351393) is 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile.
What is the SMILES notation for 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile?
The canonical SMILES for 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile is N#Cc1ccc2ccn(Cc3cnc[nH]3)c2c1.
What is the InChIKey of 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile?
The InChIKey is HCEATGWWSNQNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4/c14-6-10-1-2-11-3-4-17(13(11)5-10)8-12-7-15-9-16-12/h1-5,7,9H,8H2,(H,15,16).
What are the key properties of 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile?
1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile has a molecular weight of 222.25 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-ylmethyl)indole-6-carbonitrile is sourced from PubChem (CID 162351393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).