(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine

C14H21N3S — CID 164632774

IUPAC(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
SMILESCc1nc(CN(C)[C@@H](C)c2cccs2)n(C)c1C
InChIInChI=1S/C14H21N3S/c1-10-11(2)17(5)14(15-10)9-16(4)12(3)13-7-6-8-18-13/h6-8,12H,9H2,1-5H3/t12-/m0/s1
InChIKeyZMPPIRHTOGRTPV-LBPRGKRZSA-N
MW263.41 g/mol
LogP3.29
Rot. Bonds4

About (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine

(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine (PubChem CID 164632774) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
PubChem CID164632774
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine
SMILESCc1nc(CN(C)[C@@H](C)c2cccs2)n(C)c1C
InChIInChI=1S/C14H21N3S/c1-10-11(2)17(5)14(15-10)9-16(4)12(3)13-7-6-8-18-13/h6-8,12H,9H2,1-5H3/t12-/m0/s1
InChIKeyZMPPIRHTOGRTPV-LBPRGKRZSA-N
XLogP3.29
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine with MolForge

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Related Compounds

1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
1-(prop-2-en-1-yl)-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962267
2-(1-Propylbenzimidazol-2-yl)thiophene
CID 660451
1-(2-Methylpropyl)-2-thiophen-2-ylbenzimidazole
CID 888451
3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 853036
3-Thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;hydrochloride
CID 6603266
1-Ethyl-2-thiophen-2-yl-1H-benzoimidazole
CID 931431
3-Thiophen-2-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 2999568
2-[(1-Ethylbenzimidazol-2-yl)methyl]thiophene
CID 19242884
N-methyl-N-[[7-[(5-methylthiophen-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]propan-2-amine
CID 97384396
3-[(4-methylpiperazin-1-yl)methyl]-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471139

Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine (CID 164632774) is (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine is Cc1nc(CN(C)[C@@H](C)c2cccs2)n(C)c1C.
What is the InChIKey of (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
The InChIKey is ZMPPIRHTOGRTPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3S/c1-10-11(2)17(5)14(15-10)9-16(4)12(3)13-7-6-8-18-13/h6-8,12H,9H2,1-5H3/t12-/m0/s1.
What are the key properties of (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine?
(1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine has a molecular weight of 263.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-thiophen-2-yl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 164632774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).