4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile

C19H14N4 — CID 25071641

IUPAC4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(c2ccc3cc[nH]c3c2)n2ccnc2)cc1
InChIInChI=1S/C19H14N4/c20-12-14-1-3-16(4-2-14)19(23-10-9-21-13-23)17-6-5-15-7-8-22-18(15)11-17/h1-11,13,19,22H
InChIKeyCNVWLYDPQIBWKU-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.87
Rot. Bonds3

About 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile

4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile (PubChem CID 25071641) has the molecular formula C19H14N4 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile.

Molecular Properties

Compound Name4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile
PubChem CID25071641
Molecular FormulaC19H14N4
Molecular Weight298.35 g/mol
Exact Mass298.12
IUPAC Name4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile
SMILESN#Cc1ccc(C(c2ccc3cc[nH]c3c2)n2ccnc2)cc1
InChIInChI=1S/C19H14N4/c20-12-14-1-3-16(4-2-14)19(23-10-9-21-13-23)17-6-5-15-7-8-22-18(15)11-17/h1-11,13,19,22H
InChIKeyCNVWLYDPQIBWKU-UHFFFAOYSA-N
XLogP3.87
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile?
The IUPAC name of 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile (CID 25071641) is 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile.
What is the SMILES notation for 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile?
The canonical SMILES for 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile is N#Cc1ccc(C(c2ccc3cc[nH]c3c2)n2ccnc2)cc1.
What is the InChIKey of 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile?
The InChIKey is CNVWLYDPQIBWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4/c20-12-14-1-3-16(4-2-14)19(23-10-9-21-13-23)17-6-5-15-7-8-22-18(15)11-17/h1-11,13,19,22H.
What are the key properties of 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile?
4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile has a molecular weight of 298.35 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[imidazol-1-yl(1H-indol-6-yl)methyl]benzonitrile is sourced from PubChem (CID 25071641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).