N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

C13H19N3OS — CID 77088520

IUPACN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCOCCn1ccnc1CN(C)Cc1ccsc1
InChIInChI=1S/C13H19N3OS/c1-15(9-12-3-8-18-11-12)10-13-14-4-5-16(13)6-7-17-2/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeyJLPDDBWZYDCLDF-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.22
Rot. Bonds7

About N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine

N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (PubChem CID 77088520) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
PubChem CID77088520
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
SMILESCOCCn1ccnc1CN(C)Cc1ccsc1
InChIInChI=1S/C13H19N3OS/c1-15(9-12-3-8-18-11-12)10-13-14-4-5-16(13)6-7-17-2/h3-5,8,11H,6-7,9-10H2,1-2H3
InChIKeyJLPDDBWZYDCLDF-UHFFFAOYSA-N
XLogP2.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Thiophen-3-ylmethyl)imidazole-2-carboxylic acid
CID 131025583
(2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine
CID 46986746
3-(1-Imidazol-1-ylpropan-2-yl)-1-methyl-1-(thiophen-3-ylmethyl)urea
CID 47253563
4-(2-methoxyethyl)-3-{[2-(3-thienyl)-1H-imidazol-1-yl]methyl}-4H-1,2,4-triazole
CID 56891680
2-[(1-Methylimidazol-2-yl)methyl]-10-(thiophen-3-ylmethyl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 118739739
N,N-dimethyl-2-[[8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methoxy]acetamide
CID 118741037
N,N-dimethyl-1-[8-(thiophen-3-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methanamine
CID 118746952
(2-(1H-imidazol-1-yl)ethyl)((thiophen-3-yl)methyl)amine
CID 60664520
N-(2-imidazol-1-ylethyl)-3-sulfanyl-N-(thiophen-3-ylmethyl)propanamide
CID 177680687
N-(1H-imidazol-2-ylmethyl)-N',N'-dimethyl-N-(3-thienylmethyl)ethane-1,2-diamine
CID 46994201
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-methyl-N-(3-thienylmethyl)propan-1-amine
CID 91841898
(3S)-3-[(2-methylimidazol-1-yl)methyl]-1-(thiophen-3-ylmethyl)piperidine
CID 129609819

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine (CID 77088520) is N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is COCCn1ccnc1CN(C)Cc1ccsc1.
What is the InChIKey of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
The InChIKey is JLPDDBWZYDCLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15(9-12-3-8-18-11-12)10-13-14-4-5-16(13)6-7-17-2/h3-5,8,11H,6-7,9-10H2,1-2H3.
What are the key properties of N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine?
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine has a molecular weight of 265.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 77088520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).