benzhydrylidenecyanamide

C14H10N2 — CID 677486

IUPACbenzhydrylidenecyanamide
SMILESN#CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyHGCFJCRRNADPPY-UHFFFAOYSA-N
MW206.25 g/mol
LogP3.01
Rot. Bonds2

About benzhydrylidenecyanamide

benzhydrylidenecyanamide (PubChem CID 677486) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is benzhydrylidenecyanamide.

Molecular Properties

Compound Namebenzhydrylidenecyanamide
PubChem CID677486
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Namebenzhydrylidenecyanamide
SMILESN#CN=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10N2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H
InChIKeyHGCFJCRRNADPPY-UHFFFAOYSA-N
XLogP3.01
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze benzhydrylidenecyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzhydrylidenecyanamide?
The IUPAC name of benzhydrylidenecyanamide (CID 677486) is benzhydrylidenecyanamide.
What is the SMILES notation for benzhydrylidenecyanamide?
The canonical SMILES for benzhydrylidenecyanamide is N#CN=C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylidenecyanamide?
The InChIKey is HGCFJCRRNADPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2/c15-11-16-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H.
What are the key properties of benzhydrylidenecyanamide?
benzhydrylidenecyanamide has a molecular weight of 206.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidenecyanamide is sourced from PubChem (CID 677486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).