4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile

C19H18N4 — CID 155072962

IUPAC4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile
SMILESC=C1CCNc2c(cccc2C(=C)Nc2ccc(C#N)cc2)N1
InChIInChI=1S/C19H18N4/c1-13-10-11-21-19-17(4-3-5-18(19)22-13)14(2)23-16-8-6-15(12-20)7-9-16/h3-9,21-23H,1-2,10-11H2
InChIKeyVEYHNYPKUHRPGO-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.38
Rot. Bonds3

About 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile

4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile (PubChem CID 155072962) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile.

Molecular Properties

Compound Name4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile
PubChem CID155072962
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile
SMILESC=C1CCNc2c(cccc2C(=C)Nc2ccc(C#N)cc2)N1
InChIInChI=1S/C19H18N4/c1-13-10-11-21-19-17(4-3-5-18(19)22-13)14(2)23-16-8-6-15(12-20)7-9-16/h3-9,21-23H,1-2,10-11H2
InChIKeyVEYHNYPKUHRPGO-UHFFFAOYSA-N
XLogP4.38
TPSA59.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-3-methyl-1,3,4,5-tetrahydro-2,1,5-benzoxadiazepine-6-carboxamide
CID 155073270
N-(4-cyanophenyl)-2-hydroxyprop-2-enamide
CID 141009909
N-(4-cyanophenyl)-2,3-dimethylbenzamide
CID 24705905
1-N-(4-cyanophenyl)-1-N'-(2,6-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108983820
(2S)-N-(4-cyanophenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61148170
2-bromo-N-(4-cyanophenyl)pyridine-3-carboxamide
CID 103754024
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)-2-methylprop-2-enamide;molecular hydrogen
CID 142912025
1-(4-cyanophenyl)-3-(oxolan-2-yl)urea
CID 110706796
2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
1-(4-cyanophenyl)-3-piperidin-4-ylurea
CID 43345800
[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid
CID 122605278

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile?
The IUPAC name of 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile (CID 155072962) is 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile.
What is the SMILES notation for 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile?
The canonical SMILES for 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile is C=C1CCNc2c(cccc2C(=C)Nc2ccc(C#N)cc2)N1.
What is the InChIKey of 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile?
The InChIKey is VEYHNYPKUHRPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-13-10-11-21-19-17(4-3-5-18(19)22-13)14(2)23-16-8-6-15(12-20)7-9-16/h3-9,21-23H,1-2,10-11H2.
What are the key properties of 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile?
4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile has a molecular weight of 302.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methylidene-1,3,4,5-tetrahydro-1,5-benzodiazepin-6-yl)ethenylamino]benzonitrile is sourced from PubChem (CID 155072962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).