5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile

C11H12N4 — CID 68961943

IUPAC5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile
SMILESN#CC1=NCC(CNc2ccccc2)N1
InChIInChI=1S/C11H12N4/c12-6-11-14-8-10(15-11)7-13-9-4-2-1-3-5-9/h1-5,10,13H,7-8H2,(H,14,15)
InChIKeyIKFCWBZFDOKQSI-UHFFFAOYSA-N
MW200.25 g/mol
LogP0.99
Rot. Bonds3

About 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile

5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile (PubChem CID 68961943) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile.

Molecular Properties

Compound Name5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile
PubChem CID68961943
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile
SMILESN#CC1=NCC(CNc2ccccc2)N1
InChIInChI=1S/C11H12N4/c12-6-11-14-8-10(15-11)7-13-9-4-2-1-3-5-9/h1-5,10,13H,7-8H2,(H,14,15)
InChIKeyIKFCWBZFDOKQSI-UHFFFAOYSA-N
XLogP0.99
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile?
The IUPAC name of 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile (CID 68961943) is 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile.
What is the SMILES notation for 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile?
The canonical SMILES for 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile is N#CC1=NCC(CNc2ccccc2)N1.
What is the InChIKey of 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile?
The InChIKey is IKFCWBZFDOKQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c12-6-11-14-8-10(15-11)7-13-9-4-2-1-3-5-9/h1-5,10,13H,7-8H2,(H,14,15).
What are the key properties of 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile?
5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile has a molecular weight of 200.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)-4,5-dihydro-1H-imidazole-2-carbonitrile is sourced from PubChem (CID 68961943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).