N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine

C13H14FN3O — CID 106566452

IUPACN-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine
SMILESCOc1cc(F)ccc1-n1ccnc1NC1CC1
InChIInChI=1S/C13H14FN3O/c1-18-12-8-9(14)2-5-11(12)17-7-6-15-13(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,15,16)
InChIKeyQTZYGMRGQMLACK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.59
Rot. Bonds4

About N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine

N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine (PubChem CID 106566452) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine
PubChem CID106566452
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC NameN-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine
SMILESCOc1cc(F)ccc1-n1ccnc1NC1CC1
InChIInChI=1S/C13H14FN3O/c1-18-12-8-9(14)2-5-11(12)17-7-6-15-13(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,15,16)
InChIKeyQTZYGMRGQMLACK-UHFFFAOYSA-N
XLogP2.59
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-cyclopentylimidazol-2-amine
CID 106554110
N-cyclohexyl-1-(4-methoxy-3-methylphenyl)imidazol-2-amine
CID 106564117
1-(5-bromo-4-fluoro-2-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 107590742
1-(4-chloro-3-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 107623823
1-(2-chloro-5-methoxyphenyl)-N-cyclohexylimidazol-2-amine
CID 106564006
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937
N-cyclohexyl-1-(3-fluoro-2-methylphenyl)imidazol-2-amine
CID 106564061
1-(2-chloro-5-iodophenyl)-N-cyclopropylimidazol-2-amine
CID 114261820
N-cyclohexyl-1-(2,5-dimethylphenyl)imidazol-2-amine
CID 106558241
1-(4-bromo-5-fluoro-2-methylphenyl)-N-cyclopentylimidazol-2-amine
CID 106582277
N-cyclopentyl-1-(3,4-dimethylphenyl)imidazol-2-amine
CID 106560237
8-(4-fluoro-2-methoxyphenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740557

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine?
The IUPAC name of N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine (CID 106566452) is N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine.
What is the SMILES notation for N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine?
The canonical SMILES for N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine is COc1cc(F)ccc1-n1ccnc1NC1CC1.
What is the InChIKey of N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine?
The InChIKey is QTZYGMRGQMLACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-18-12-8-9(14)2-5-11(12)17-7-6-15-13(17)16-10-3-4-10/h2,5-8,10H,3-4H2,1H3,(H,15,16).
What are the key properties of N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine?
N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine has a molecular weight of 247.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-fluoro-2-methoxyphenyl)imidazol-2-amine is sourced from PubChem (CID 106566452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).