1-(2-methoxypropyl)-N-phenylimidazol-2-amine

C13H17N3O — CID 106583404

IUPAC1-(2-methoxypropyl)-N-phenylimidazol-2-amine
SMILESCOC(C)Cn1ccnc1Nc1ccccc1
InChIInChI=1S/C13H17N3O/c1-11(17-2)10-16-9-8-14-13(16)15-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,14,15)
InChIKeyXVPSAOOWLAVKTO-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.66
Rot. Bonds5

About 1-(2-methoxypropyl)-N-phenylimidazol-2-amine

1-(2-methoxypropyl)-N-phenylimidazol-2-amine (PubChem CID 106583404) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(2-methoxypropyl)-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxypropyl)-N-phenylimidazol-2-amine
PubChem CID106583404
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(2-methoxypropyl)-N-phenylimidazol-2-amine
SMILESCOC(C)Cn1ccnc1Nc1ccccc1
InChIInChI=1S/C13H17N3O/c1-11(17-2)10-16-9-8-14-13(16)15-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,14,15)
InChIKeyXVPSAOOWLAVKTO-UHFFFAOYSA-N
XLogP2.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1-(2-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106577771
N-phenyl-1-(2-piperidin-1-ylpropyl)imidazol-2-amine
CID 106567928
N-phenyl-1-prop-2-ynylimidazol-2-amine
CID 88690994
1-(2-ethoxyethyl)-N-phenylimidazol-2-amine
CID 106554048
1-[(2-methylphenyl)methyl]-N-phenylimidazol-2-amine
CID 106563124
1-octyl-N-phenylimidazol-2-amine
CID 106578848
N-(2-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106583435
1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-N-phenylimidazol-2-amine
CID 106577158
1-[(2S)-2-methoxypropyl]-2-[2-[10-[2-[1-[(2S)-2-methoxypropyl]imidazol-2-yl]ethynyl]anthracen-9-yl]ethynyl]imidazole
CID 177409674
1-(2-methylpropyl)-N-(4-propylphenyl)imidazol-2-amine
CID 106561544
1-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556215
N-phenyl-1-[2-(triazol-1-yl)ethyl]imidazol-2-amine
CID 106579677

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypropyl)-N-phenylimidazol-2-amine?
The IUPAC name of 1-(2-methoxypropyl)-N-phenylimidazol-2-amine (CID 106583404) is 1-(2-methoxypropyl)-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxypropyl)-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(2-methoxypropyl)-N-phenylimidazol-2-amine is COC(C)Cn1ccnc1Nc1ccccc1.
What is the InChIKey of 1-(2-methoxypropyl)-N-phenylimidazol-2-amine?
The InChIKey is XVPSAOOWLAVKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-11(17-2)10-16-9-8-14-13(16)15-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-methoxypropyl)-N-phenylimidazol-2-amine?
1-(2-methoxypropyl)-N-phenylimidazol-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypropyl)-N-phenylimidazol-2-amine is sourced from PubChem (CID 106583404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).