1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

C15H23N3OS — CID 106573869

IUPAC1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1Cc1cc(C)c(C)s1
InChIInChI=1S/C15H23N3OS/c1-10-6-14(20-13(10)4)8-18-7-11(2)16-15(18)17-12(3)9-19-5/h6-7,12H,8-9H2,1-5H3,(H,16,17)
InChIKeyHFVCNNOWBISIFK-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.36
Rot. Bonds6

About 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine

1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106573869) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106573869
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
SMILESCOCC(C)Nc1nc(C)cn1Cc1cc(C)c(C)s1
InChIInChI=1S/C15H23N3OS/c1-10-6-14(20-13(10)4)8-18-7-11(2)16-15(18)17-12(3)9-19-5/h6-7,12H,8-9H2,1-5H3,(H,16,17)
InChIKeyHFVCNNOWBISIFK-UHFFFAOYSA-N
XLogP3.36
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine with MolForge

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Related Compounds

N-(1-methoxypropan-2-yl)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-2-amine
CID 106566093
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864
1-[(2-ethylphenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574539
N-(1-methoxypropan-2-yl)-4-methyl-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]imidazol-2-amine
CID 106569960
N-(1-methoxypropan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106554828
1-(2,2-dimethylbutyl)-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583486
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581065
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580909
N-(1-methoxypropan-2-yl)-4-methyl-1-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571808
N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
CID 106573878
N-(1-methoxypropan-2-yl)-4-methyl-1-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576057
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567535

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine (CID 106573869) is 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is COCC(C)Nc1nc(C)cn1Cc1cc(C)c(C)s1.
What is the InChIKey of 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is HFVCNNOWBISIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-10-6-14(20-13(10)4)8-18-7-11(2)16-15(18)17-12(3)9-19-5/h6-7,12H,8-9H2,1-5H3,(H,16,17).
What are the key properties of 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine?
1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106573869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).