2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

C17H19N3S — CID 61212219

IUPAC2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESCn1ccnc1CCNCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H19N3S/c1-20-12-11-19-17(20)9-10-18-13-15-7-8-16(21-15)14-5-3-2-4-6-14/h2-8,11-12,18H,9-10,13H2,1H3
InChIKeyDRCSSMKSWOXQRR-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.48
Rot. Bonds6

About 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine

2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (PubChem CID 61212219) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
PubChem CID61212219
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
SMILESCn1ccnc1CCNCc1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H19N3S/c1-20-12-11-19-17(20)9-10-18-13-15-7-8-16(21-15)14-5-3-2-4-6-14/h2-8,11-12,18H,9-10,13H2,1H3
InChIKeyDRCSSMKSWOXQRR-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-phenylthiophen-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 62197933
2-phenyl-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 43222657
N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212225
2-(1-methylimidazol-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437741
N-[(5-phenylthiophen-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 43224626
N-[2-(1-methylimidazol-2-yl)ethyl]-4-phenylbutan-1-amine
CID 114333307
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 62346002
N-[(5-methylfuran-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214870
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 115762274

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine (CID 61212219) is 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is Cn1ccnc1CCNCc1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
The InChIKey is DRCSSMKSWOXQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-20-12-11-19-17(20)9-10-18-13-15-7-8-16(21-15)14-5-3-2-4-6-14/h2-8,11-12,18H,9-10,13H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine?
2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine has a molecular weight of 297.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 61212219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).