N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

C13H16FN3 — CID 122098700

IUPACN-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(N[C@@H]2C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C13H16FN3/c1-8-7-15-13(16-8)17-12-6-10(12)9-4-2-3-5-11(9)14/h2-5,8,10,12H,6-7H2,1H3,(H2,15,16,17)/t8?,10-,12+/m0/s1
InChIKeyKYBKZJCBKJEVDV-USQOSVOJSA-N
MW233.29 g/mol
LogP1.62
Rot. Bonds2

About N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine

N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 122098700) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID122098700
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCC1CN=C(N[C@@H]2C[C@H]2c2ccccc2F)N1
InChIInChI=1S/C13H16FN3/c1-8-7-15-13(16-8)17-12-6-10(12)9-4-2-3-5-11(9)14/h2-5,8,10,12H,6-7H2,1H3,(H2,15,16,17)/t8?,10-,12+/m0/s1
InChIKeyKYBKZJCBKJEVDV-USQOSVOJSA-N
XLogP1.62
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine (CID 122098700) is N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is CC1CN=C(N[C@@H]2C[C@H]2c2ccccc2F)N1.
What is the InChIKey of N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KYBKZJCBKJEVDV-USQOSVOJSA-N. The full InChI is InChI=1S/C13H16FN3/c1-8-7-15-13(16-8)17-12-6-10(12)9-4-2-3-5-11(9)14/h2-5,8,10,12H,6-7H2,1H3,(H2,15,16,17)/t8?,10-,12+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine?
N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 122098700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).