N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine

C17H25N3O — CID 106571880

IUPACN-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C(C)Cc1ccccc1
InChIInChI=1S/C17H25N3O/c1-14-13-20(17(19-14)18-10-7-11-21-3)15(2)12-16-8-5-4-6-9-16/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyVDQYPLZKRZIVHF-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.44
Rot. Bonds8

About N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine

N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine (PubChem CID 106571880) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
PubChem CID106571880
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
SMILESCOCCCNc1nc(C)cn1C(C)Cc1ccccc1
InChIInChI=1S/C17H25N3O/c1-14-13-20(17(19-14)18-10-7-11-21-3)15(2)12-16-8-5-4-6-9-16/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,19)
InChIKeyVDQYPLZKRZIVHF-UHFFFAOYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(dimethylamino)butan-2-yl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106567768
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562252
N,4-dimethyl-1-(1-phenylpropan-2-yl)imidazol-2-amine
CID 106571835
1-(1-methoxy-3-methylbutan-2-yl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106575097
4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106571858
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
N-(3-methoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562044
N-(3-methoxypropyl)-4-methyl-1-(1-morpholin-4-ylpropan-2-yl)imidazol-2-amine
CID 106568545
N-butyl-1-[1-(4-fluorophenyl)propan-2-yl]-4-methylimidazol-2-amine
CID 106571701
1-hexan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106569745
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine (CID 106571880) is N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine is COCCCNc1nc(C)cn1C(C)Cc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
The InChIKey is VDQYPLZKRZIVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-13-20(17(19-14)18-10-7-11-21-3)15(2)12-16-8-5-4-6-9-16/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,19).
What are the key properties of N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine?
N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine has a molecular weight of 287.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-methyl-1-(1-phenylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106571880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).