1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole

C14H19N3S — CID 124959858

IUPAC1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
SMILESCc1cn(C)c([C@H]2CCN(Cc3cccs3)C2)n1
InChIInChI=1S/C14H19N3S/c1-11-8-16(2)14(15-11)12-5-6-17(9-12)10-13-4-3-7-18-13/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyGQGHAQXDHAWGTR-LBPRGKRZSA-N
MW261.39 g/mol
LogP2.78
Rot. Bonds3

About 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole

1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole (PubChem CID 124959858) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
PubChem CID124959858
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
SMILESCc1cn(C)c([C@H]2CCN(Cc3cccs3)C2)n1
InChIInChI=1S/C14H19N3S/c1-11-8-16(2)14(15-11)12-5-6-17(9-12)10-13-4-3-7-18-13/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m0/s1
InChIKeyGQGHAQXDHAWGTR-LBPRGKRZSA-N
XLogP2.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124981783
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124949205
2-methyl-6-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrazine
CID 125019406
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
3-(2-methylphenyl)-5-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 127244653
3-chloro-4-methyl-1-(thiophen-2-ylmethyl)piperidine
CID 102959815
5-[[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methyl]-6-methylimidazo[2,1-b][1,3]thiazole
CID 110104090
3-(1,4-dimethylimidazol-2-yl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine
CID 110104154
2-[(3R)-1-[(2-butyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 125025801
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749
3,6-dimethyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-amine
CID 133469202

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole?
The IUPAC name of 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole (CID 124959858) is 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole.
What is the SMILES notation for 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole?
The canonical SMILES for 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole is Cc1cn(C)c([C@H]2CCN(Cc3cccs3)C2)n1.
What is the InChIKey of 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole?
The InChIKey is GQGHAQXDHAWGTR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11-8-16(2)14(15-11)12-5-6-17(9-12)10-13-4-3-7-18-13/h3-4,7-8,12H,5-6,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole?
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole has a molecular weight of 261.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole is sourced from PubChem (CID 124959858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).