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

C10H9FN4 — CID 114400169

IUPAC5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile
SMILESN#Cc1cc(NC2=NCCN2)ccc1F
InChIInChI=1S/C10H9FN4/c11-9-2-1-8(5-7(9)6-12)15-10-13-3-4-14-10/h1-2,5H,3-4H2,(H2,13,14,15)
InChIKeyYRSPIUWLZKKDTB-UHFFFAOYSA-N
MW204.21 g/mol
LogP1.07
Rot. Bonds1

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

5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile (PubChem CID 114400169) has the molecular formula C10H9FN4 and a molecular weight of 204.21 g/mol. Its IUPAC name is 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile
PubChem CID114400169
Molecular FormulaC10H9FN4
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile
SMILESN#Cc1cc(NC2=NCCN2)ccc1F
InChIInChI=1S/C10H9FN4/c11-9-2-1-8(5-7(9)6-12)15-10-13-3-4-14-10/h1-2,5H,3-4H2,(H2,13,14,15)
InChIKeyYRSPIUWLZKKDTB-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

N-(3-fluoro-4-methylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 3088359
2-(4,5-dihydro-1H-imidazol-2-ylamino)-5-fluorobenzonitrile
CID 114400352
2-(4,5-dihydro-1H-imidazol-2-ylamino)-6-fluorobenzonitrile
CID 114400085
5-anilino-2-fluorobenzonitrile
CID 166901089
2-fluoro-5-(1H-pyrazol-4-ylamino)benzonitrile
CID 125449171
3-(3-cyano-4-fluoroanilino)pyrazine-2-carbonitrile
CID 62683175
5-[(2-chloro-4-pyridinyl)amino]-2-fluorobenzonitrile
CID 102824174
5-(3-amino-5-fluoroanilino)-2-fluorobenzonitrile
CID 55057774
5-(4-chloro-2-cyanoanilino)-2-fluorobenzonitrile
CID 62492574
1-(3,4-difluorophenyl)-3-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]propan-1-one;hydrochloride
CID 18469991
N-(2-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 5242373
4-(4,5-dihydro-1H-imidazol-2-ylamino)benzamide
CID 22245999

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile?
The IUPAC name of 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile (CID 114400169) is 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile is N#Cc1cc(NC2=NCCN2)ccc1F.
What is the InChIKey of 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile?
The InChIKey is YRSPIUWLZKKDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4/c11-9-2-1-8(5-7(9)6-12)15-10-13-3-4-14-10/h1-2,5H,3-4H2,(H2,13,14,15).
What are the key properties of 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile?
5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-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 5-(4,5-dihydro-1H-imidazol-2-ylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 114400169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).