N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine

C12H17N3S — CID 79808147

IUPACN-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cscc1C)c1nccn1C
InChIInChI=1S/C12H17N3S/c1-4-13-11(10-8-16-7-9(10)2)12-14-5-6-15(12)3/h5-8,11,13H,4H2,1-3H3
InChIKeySHXDBWOFUFSQNG-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.49
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine

N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine (PubChem CID 79808147) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
PubChem CID79808147
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cscc1C)c1nccn1C
InChIInChI=1S/C12H17N3S/c1-4-13-11(10-8-16-7-9(10)2)12-14-5-6-15(12)3/h5-8,11,13H,4H2,1-3H3
InChIKeySHXDBWOFUFSQNG-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251798
N-[(5-chloro-2-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82890952
N-[(1-methylimidazol-2-yl)-(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 65199028
N-[(2-fluoro-5-methylphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 62508943
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[(2-bromofuran-3-yl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 106855833
N-[(5-fluoro-2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 82769072
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
N-[(3,5-dibromophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 114022999
N-[(1-methylimidazol-2-yl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107975384
N-[(2-chloro-3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 81462073
N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127200

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine (CID 79808147) is N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine is CCNC(c1cscc1C)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
The InChIKey is SHXDBWOFUFSQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-13-11(10-8-16-7-9(10)2)12-14-5-6-15(12)3/h5-8,11,13H,4H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine?
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine has a molecular weight of 235.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 79808147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).