1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole

C19H20N2OS — CID 50955992

IUPAC1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole
SMILESCOCC1(Cn2cnc(-c3ccccc3)c2-c2cccs2)CC1
InChIInChI=1S/C19H20N2OS/c1-22-13-19(9-10-19)12-21-14-20-17(15-6-3-2-4-7-15)18(21)16-8-5-11-23-16/h2-8,11,14H,9-10,12-13H2,1H3
InChIKeyTWVPAEJDTSDGNH-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.71
Rot. Bonds6

About 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole

1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole (PubChem CID 50955992) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole
PubChem CID50955992
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole
SMILESCOCC1(Cn2cnc(-c3ccccc3)c2-c2cccs2)CC1
InChIInChI=1S/C19H20N2OS/c1-22-13-19(9-10-19)12-21-14-20-17(15-6-3-2-4-7-15)18(21)16-8-5-11-23-16/h2-8,11,14H,9-10,12-13H2,1H3
InChIKeyTWVPAEJDTSDGNH-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
1-[(3-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539907
5-(Cyclopropyl(1H-imidazol-1-yl)methyl)-2-(thiophen-3-yl)pyridine
CID 57330006
Disubstituted imidazole 27
CID 6539909
1-[(2-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539908
4,5-Diphenyl-1-prop-2-enyl-2-thiophen-2-ylimidazole
CID 2817093
Ethyl 2-(4,5-diphenyl-2-thiophen-2-ylimidazol-1-yl)acetate
CID 2817091
1-methyl-4-{2-[4-phenyl-5-(3-thienyl)-1H-imidazol-1-yl]ethyl}piperidin-4-ol
CID 50978286
4,5-Bis(2,5-dimethylthiophen-3-yl)-1-methylimidazole
CID 68013284
5-{4-phenyl-1-[2-(2-thienyl)ethyl]-1H-imidazol-5-yl}pyrimidin-2-amine
CID 50951697
1-{2-[5-(3-methyl-2-thienyl)-4-phenyl-1H-imidazol-1-yl]ethyl}imidazolidin-2-one
CID 50956740

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole?
The IUPAC name of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole (CID 50955992) is 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole.
What is the SMILES notation for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole?
The canonical SMILES for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole is COCC1(Cn2cnc(-c3ccccc3)c2-c2cccs2)CC1.
What is the InChIKey of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole?
The InChIKey is TWVPAEJDTSDGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-22-13-19(9-10-19)12-21-14-20-17(15-6-3-2-4-7-15)18(21)16-8-5-11-23-16/h2-8,11,14H,9-10,12-13H2,1H3.
What are the key properties of 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole?
1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole has a molecular weight of 324.45 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methoxymethyl)cyclopropyl]methyl]-4-phenyl-5-thiophen-2-ylimidazole is sourced from PubChem (CID 50955992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).