5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole

C16H23N3S — CID 114720919

IUPAC5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
SMILESCc1ccc(CC(C)n2cncc2C2(C)CCNC2)s1
InChIInChI=1S/C16H23N3S/c1-12(8-14-5-4-13(2)20-14)19-11-18-9-15(19)16(3)6-7-17-10-16/h4-5,9,11-12,17H,6-8,10H2,1-3H3
InChIKeyWMLOSJPVEBMJNS-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.31
Rot. Bonds4

About 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole

5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole (PubChem CID 114720919) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole.

Molecular Properties

Compound Name5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
PubChem CID114720919
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC Name5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole
SMILESCc1ccc(CC(C)n2cncc2C2(C)CCNC2)s1
InChIInChI=1S/C16H23N3S/c1-12(8-14-5-4-13(2)20-14)19-11-18-9-15(19)16(3)6-7-17-10-16/h4-5,9,11-12,17H,6-8,10H2,1-3H3
InChIKeyWMLOSJPVEBMJNS-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
The IUPAC name of 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole (CID 114720919) is 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole.
What is the SMILES notation for 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
The canonical SMILES for 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole is Cc1ccc(CC(C)n2cncc2C2(C)CCNC2)s1.
What is the InChIKey of 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
The InChIKey is WMLOSJPVEBMJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-12(8-14-5-4-13(2)20-14)19-11-18-9-15(19)16(3)6-7-17-10-16/h4-5,9,11-12,17H,6-8,10H2,1-3H3.
What are the key properties of 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole?
5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole has a molecular weight of 289.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpyrrolidin-3-yl)-1-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazole is sourced from PubChem (CID 114720919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).