1-phenylbenzimidazole-5,6-dicarbonitrile

C15H8N4 — CID 16762723

IUPAC1-phenylbenzimidazole-5,6-dicarbonitrile
SMILESN#Cc1cc2ncn(-c3ccccc3)c2cc1C#N
InChIInChI=1S/C15H8N4/c16-8-11-6-14-15(7-12(11)9-17)19(10-18-14)13-4-2-1-3-5-13/h1-7,10H
InChIKeySJWGYPCMOZZLEL-UHFFFAOYSA-N
MW244.26 g/mol
LogP2.77
Rot. Bonds1

About 1-phenylbenzimidazole-5,6-dicarbonitrile

1-phenylbenzimidazole-5,6-dicarbonitrile (PubChem CID 16762723) has the molecular formula C15H8N4 and a molecular weight of 244.26 g/mol. Its IUPAC name is 1-phenylbenzimidazole-5,6-dicarbonitrile.

Molecular Properties

Compound Name1-phenylbenzimidazole-5,6-dicarbonitrile
PubChem CID16762723
Molecular FormulaC15H8N4
Molecular Weight244.26 g/mol
Exact Mass244.07
IUPAC Name1-phenylbenzimidazole-5,6-dicarbonitrile
SMILESN#Cc1cc2ncn(-c3ccccc3)c2cc1C#N
InChIInChI=1S/C15H8N4/c16-8-11-6-14-15(7-12(11)9-17)19(10-18-14)13-4-2-1-3-5-13/h1-7,10H
InChIKeySJWGYPCMOZZLEL-UHFFFAOYSA-N
XLogP2.77
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenylbenzimidazole-5,6-dicarbonitrile?
The IUPAC name of 1-phenylbenzimidazole-5,6-dicarbonitrile (CID 16762723) is 1-phenylbenzimidazole-5,6-dicarbonitrile.
What is the SMILES notation for 1-phenylbenzimidazole-5,6-dicarbonitrile?
The canonical SMILES for 1-phenylbenzimidazole-5,6-dicarbonitrile is N#Cc1cc2ncn(-c3ccccc3)c2cc1C#N.
What is the InChIKey of 1-phenylbenzimidazole-5,6-dicarbonitrile?
The InChIKey is SJWGYPCMOZZLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4/c16-8-11-6-14-15(7-12(11)9-17)19(10-18-14)13-4-2-1-3-5-13/h1-7,10H.
What are the key properties of 1-phenylbenzimidazole-5,6-dicarbonitrile?
1-phenylbenzimidazole-5,6-dicarbonitrile has a molecular weight of 244.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbenzimidazole-5,6-dicarbonitrile is sourced from PubChem (CID 16762723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).