1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole

C13H17N3S — CID 99825694

IUPAC1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
SMILESc1csc(CN2CCC[C@H]2Cn2ccnc2)c1
InChIInChI=1S/C13H17N3S/c1-3-12(9-15-7-5-14-11-15)16(6-1)10-13-4-2-8-17-13/h2,4-5,7-8,11-12H,1,3,6,9-10H2/t12-/m0/s1
InChIKeyWDEWCJZVBFTFHC-LBPRGKRZSA-N
MW247.37 g/mol
LogP2.61
Rot. Bonds4

About 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole

1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole (PubChem CID 99825694) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
PubChem CID99825694
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole
SMILESc1csc(CN2CCC[C@H]2Cn2ccnc2)c1
InChIInChI=1S/C13H17N3S/c1-3-12(9-15-7-5-14-11-15)16(6-1)10-13-4-2-8-17-13/h2,4-5,7-8,11-12H,1,3,6,9-10H2/t12-/m0/s1
InChIKeyWDEWCJZVBFTFHC-LBPRGKRZSA-N
XLogP2.61
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole 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-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147
3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 853036
6-(2-Thienyl)-2,3-dihydroimidazo[2,1-B][1,3]thiazole
CID 713368
3-imidazol-1-yl-N-[(5-methylthiophen-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-1-amine
CID 16676786
N-(3-imidazol-1-ylpropyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45829762
N-(2-imidazol-1-ylethyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 45830128
N-(2-imidazol-1-ylethyl)-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 45830130
N'-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 46984947
1-(1-Imidazol-1-ylpropan-2-yl)-3-(2-thiophen-2-ylethyl)urea
CID 47220679

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
The IUPAC name of 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole (CID 99825694) is 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole is c1csc(CN2CCC[C@H]2Cn2ccnc2)c1.
What is the InChIKey of 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
The InChIKey is WDEWCJZVBFTFHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17N3S/c1-3-12(9-15-7-5-14-11-15)16(6-1)10-13-4-2-8-17-13/h2,4-5,7-8,11-12H,1,3,6,9-10H2/t12-/m0/s1.
What are the key properties of 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole?
1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole has a molecular weight of 247.37 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]methyl]imidazole is sourced from PubChem (CID 99825694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).