1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine

C16H25N3OS — CID 106573460

IUPAC1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NC(C)Cc1cccs1
InChIInChI=1S/C16H25N3OS/c1-4-20-9-6-8-19-12-14(3)18-16(19)17-13(2)11-15-7-5-10-21-15/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3,(H,17,18)
InChIKeySJVQPIAAGIEPKQ-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.72
Rot. Bonds9

About 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine (PubChem CID 106573460) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
PubChem CID106573460
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NC(C)Cc1cccs1
InChIInChI=1S/C16H25N3OS/c1-4-20-9-6-8-19-12-14(3)18-16(19)17-13(2)11-15-7-5-10-21-15/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3,(H,17,18)
InChIKeySJVQPIAAGIEPKQ-UHFFFAOYSA-N
XLogP3.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
CID 106580467
4-methyl-1-propan-2-yl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573480
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
CID 106582463
4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine
CID 106571864
1-propyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573450
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-2-methylpyridin-3-amine
CID 106575849
1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 106565604

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine (CID 106573460) is 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine is CCOCCCn1cc(C)nc1NC(C)Cc1cccs1.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine?
The InChIKey is SJVQPIAAGIEPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-20-9-6-8-19-12-14(3)18-16(19)17-13(2)11-15-7-5-10-21-15/h5,7,10,12-13H,4,6,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine has a molecular weight of 307.46 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106573460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).