N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine

C18H21N3S — CID 75382647

IUPACN-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NCCc1nccn1Cc1ccccc1)c1ccsc1
InChIInChI=1S/C18H21N3S/c1-15(17-8-12-22-14-17)19-9-7-18-20-10-11-21(18)13-16-5-3-2-4-6-16/h2-6,8,10-12,14-15,19H,7,9,13H2,1H3
InChIKeyKFHKSIOKKIIYEL-UHFFFAOYSA-N
MW311.45 g/mol
LogP3.89
Rot. Bonds7

About N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine

N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 75382647) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID75382647
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NCCc1nccn1Cc1ccccc1)c1ccsc1
InChIInChI=1S/C18H21N3S/c1-15(17-8-12-22-14-17)19-9-7-18-20-10-11-21(18)13-16-5-3-2-4-6-16/h2-6,8,10-12,14-15,19H,7,9,13H2,1H3
InChIKeyKFHKSIOKKIIYEL-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine (CID 75382647) is N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is CC(NCCc1nccn1Cc1ccccc1)c1ccsc1.
What is the InChIKey of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is KFHKSIOKKIIYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-15(17-8-12-22-14-17)19-9-7-18-20-10-11-21(18)13-16-5-3-2-4-6-16/h2-6,8,10-12,14-15,19H,7,9,13H2,1H3.
What are the key properties of N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 311.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-2-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 75382647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).