1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine

C10H12FN3 — CID 166161661

IUPAC1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C10H12FN3/c11-9-3-1-8(2-4-9)7-14-6-5-13-10(14)12/h1-4H,5-7H2,(H2,12,13)
InChIKeyZYJWWWZJFUDCCG-UHFFFAOYSA-N
MW193.23 g/mol
LogP0.96
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine

1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 166161661) has the molecular formula C10H12FN3 and a molecular weight of 193.23 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID166161661
Molecular FormulaC10H12FN3
Molecular Weight193.23 g/mol
Exact Mass193.10
IUPAC Name1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1Cc1ccc(F)cc1
InChIInChI=1S/C10H12FN3/c11-9-3-1-8(2-4-9)7-14-6-5-13-10(14)12/h1-4H,5-7H2,(H2,12,13)
InChIKeyZYJWWWZJFUDCCG-UHFFFAOYSA-N
XLogP0.96
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine;hydrochloride
CID 175067580
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-fluorophenyl)methyl]azetidin-2-one
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1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
1-[(4-fluorophenyl)methyl]azepan-2-one
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CID 129113237
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
1-[(4-fluorophenyl)methyl]triazinane
CID 174675035
1-[(3,4-dichlorophenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 22194716
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
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4-amino-2-[(4-fluorophenyl)methyl]-3H-isoindol-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine (CID 166161661) is 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine is NC1=NCCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is ZYJWWWZJFUDCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c11-9-3-1-8(2-4-9)7-14-6-5-13-10(14)12/h1-4H,5-7H2,(H2,12,13).
What are the key properties of 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine?
1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 193.23 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 166161661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).