N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

C16H22FN3O — CID 106571697

IUPACN-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O/c1-12(10-14-4-6-15(17)7-5-14)19-16-18-8-9-20(16)13(2)11-21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,19)
InChIKeyCAFFGBXGRKTWFG-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.27
Rot. Bonds7

About N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine

N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (PubChem CID 106571697) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
PubChem CID106571697
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
SMILESCOCC(C)n1ccnc1NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C16H22FN3O/c1-12(10-14-4-6-15(17)7-5-14)19-16-18-8-9-20(16)13(2)11-21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,19)
InChIKeyCAFFGBXGRKTWFG-UHFFFAOYSA-N
XLogP3.27
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis(1-methoxypropan-2-yl)imidazol-2-amine
CID 106556138
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
2-N-[1-(1-methoxypropan-2-yl)imidazol-2-yl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 106578621
N-ethyl-1-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 106571727
1-(1-methoxypropan-2-yl)-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567569
N-(1-methoxypropan-2-yl)-1-(4-phenylbutan-2-yl)imidazol-2-amine
CID 106567227
N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106570194
1-(1-methoxypropan-2-yl)-N-[(6-methyl-3-pyridinyl)methyl]imidazol-2-amine
CID 106571991
N-(2,2-dimethylpropyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106563648
N-(1-methoxypropan-2-yl)-1-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567567
N-(1-methoxypropan-2-yl)-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106561999
N-(4-bromo-2,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106574060

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine (CID 106571697) is N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is COCC(C)n1ccnc1NC(C)Cc1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
The InChIKey is CAFFGBXGRKTWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-12(10-14-4-6-15(17)7-5-14)19-16-18-8-9-20(16)13(2)11-21-3/h4-9,12-13H,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine?
N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine has a molecular weight of 291.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propan-2-yl]-1-(1-methoxypropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106571697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).