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

C16H25N3OS — CID 106564369

IUPACN-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C(CC)c1cccs1
InChIInChI=1S/C16H25N3OS/c1-4-14(15-8-6-11-21-15)19-12-13(3)18-16(19)17-9-7-10-20-5-2/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,17,18)
InChIKeySEDWFUZQQSVGIK-UHFFFAOYSA-N
MW307.46 g/mol
LogP4.09
Rot. Bonds9

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

N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine (PubChem CID 106564369) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
PubChem CID106564369
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1C(CC)c1cccs1
InChIInChI=1S/C16H25N3OS/c1-4-14(15-8-6-11-21-15)19-12-13(3)18-16(19)17-9-7-10-20-5-2/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,17,18)
InChIKeySEDWFUZQQSVGIK-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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

N-(3-ethoxypropyl)-4-methyl-1-(1-pyridin-4-ylethyl)imidazol-2-amine
CID 106562010
1-(1-cyclohexylethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571259
4-methyl-N-(2-methylpropyl)-1-(1-thiophen-2-ylbutyl)imidazol-2-amine
CID 106565325
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-[(5-chlorothiophen-2-yl)-thiophen-2-ylmethyl]-3-ethoxypropan-1-amine
CID 43765306
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106566799
1-cyclopentyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106554998
1-cyclobutyl-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571408
1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573460
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine (CID 106564369) is N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1C(CC)c1cccs1.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine?
The InChIKey is SEDWFUZQQSVGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-14(15-8-6-11-21-15)19-12-13(3)18-16(19)17-9-7-10-20-5-2/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine has a molecular weight of 307.46 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine is sourced from PubChem (CID 106564369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).