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

C10H9FN4 — CID 114400352

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NC1=NCCN1
InChIInChI=1S/C10H9FN4/c11-8-1-2-9(7(5-8)6-12)15-10-13-3-4-14-10/h1-2,5H,3-4H2,(H2,13,14,15)
InChIKeyOHJMCYHYLDLKRE-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.07
Rot. Bonds1

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

2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile (PubChem CID 114400352) 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)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile
PubChem CID114400352
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1NC1=NCCN1
InChIInChI=1S/C10H9FN4/c11-8-1-2-9(7(5-8)6-12)15-10-13-3-4-14-10/h1-2,5H,3-4H2,(H2,13,14,15)
InChIKeyOHJMCYHYLDLKRE-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

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Related Compounds

5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile
CID 114400169
2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile
CID 114400085
2-[(3-aminopyrazin-2-yl)amino]-5-fluorobenzonitrile
CID 102987010
4-(4,5-dihydro-1H-imidazol-2-ylamino)-3-methoxybenzonitrile
CID 114400407
2-(2-cyano-4-fluoroanilino)-6-methylpyridine-3-carbonitrile
CID 82016543
2-[(2,5-dichloropyrimidin-4-yl)amino]-5-fluorobenzonitrile
CID 82016257
5-amino-6-(2-cyano-4-fluoroanilino)pyridine-3-carbonitrile
CID 103468902
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
5-fluoro-2-(2,3,5,6-tetrafluoroanilino)benzonitrile
CID 107644805
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-(4-chloro-2-fluoroanilino)-5-fluorobenzonitrile
CID 63669042

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile (CID 114400352) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1NC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile?
The InChIKey is OHJMCYHYLDLKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-8-1-2-9(7(5-8)6-12)15-10-13-3-4-14-10/h1-2,5H,3-4H2,(H2,13,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile?
2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-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)-5-fluorobenzonitrile is sourced from PubChem (CID 114400352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).