2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile

C10H9FN4 — CID 114400085

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1=NCCN1
InChIInChI=1S/C10H9FN4/c11-8-2-1-3-9(7(8)6-12)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15)
InChIKeyIYBHSLSPNAWKOH-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.07
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile

2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile (PubChem CID 114400085) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile
PubChem CID114400085
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NC1=NCCN1
InChIInChI=1S/C10H9FN4/c11-8-2-1-3-9(7(8)6-12)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15)
InChIKeyIYBHSLSPNAWKOH-UHFFFAOYSA-N
XLogP1.07
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile 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-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
N-(2,6-di(18F)fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 46851240
2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile
CID 114400352
2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 78916028
2-(3-bromo-2-cyanoanilino)-6-fluorobenzonitrile
CID 114880644
2-(2-cyanoanilino)-6-fluorobenzonitrile
CID 43580771
2-chloro-3-N-(4,5-dihydro-1H-imidazol-2-yl)benzene-1,3-diamine
CID 125427077
N-(2-bromo-3-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 86008018
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 146217301
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]amino]benzonitrile
CID 80792103
2-(4-bromo-2,6-difluoroanilino)-6-fluorobenzonitrile
CID 79513028

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile (CID 114400085) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1NC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile?
The InChIKey is IYBHSLSPNAWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-8-2-1-3-9(7(8)6-12)15-10-13-4-5-14-10/h1-3H,4-5H2,(H2,13,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile?
2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile has a molecular weight of 204.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile is sourced from PubChem (CID 114400085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).