5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

C14H17N3S2 — CID 79520692

IUPAC5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCc1ccc(C2CN=C(N)N2Cc2cccs2)s1
InChIInChI=1S/C14H17N3S2/c1-2-10-5-6-13(19-10)12-8-16-14(15)17(12)9-11-4-3-7-18-11/h3-7,12H,2,8-9H2,1H3,(H2,15,16)
InChIKeyYACSFXXMASFYDR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.24
Rot. Bonds4

About 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine

5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79520692) has the molecular formula C14H17N3S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79520692
Molecular FormulaC14H17N3S2
Molecular Weight291.44 g/mol
Exact Mass291.09
IUPAC Name5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
SMILESCCc1ccc(C2CN=C(N)N2Cc2cccs2)s1
InChIInChI=1S/C14H17N3S2/c1-2-10-5-6-13(19-10)12-8-16-14(15)17(12)9-11-4-3-7-18-11/h3-7,12H,2,8-9H2,1H3,(H2,15,16)
InChIKeyYACSFXXMASFYDR-UHFFFAOYSA-N
XLogP3.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine (CID 79520692) is 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is CCc1ccc(C2CN=C(N)N2Cc2cccs2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is YACSFXXMASFYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S2/c1-2-10-5-6-13(19-10)12-8-16-14(15)17(12)9-11-4-3-7-18-11/h3-7,12H,2,8-9H2,1H3,(H2,15,16).
What are the key properties of 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine?
5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 291.44 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79520692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).