1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine

C15H16BrN3S — CID 79515008

IUPAC1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCCc1ccc(C2CN=C(N)N2c2cccc(Br)c2)s1
InChIInChI=1S/C15H16BrN3S/c1-2-12-6-7-14(20-12)13-9-18-15(17)19(13)11-5-3-4-10(16)8-11/h3-8,13H,2,9H2,1H3,(H2,17,18)
InChIKeyRFAMTFXRCZHFRI-UHFFFAOYSA-N
MW350.29 g/mol
LogP3.95
Rot. Bonds3

About 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine

1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 79515008) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID79515008
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESCCc1ccc(C2CN=C(N)N2c2cccc(Br)c2)s1
InChIInChI=1S/C15H16BrN3S/c1-2-12-6-7-14(20-12)13-9-18-15(17)19(13)11-5-3-4-10(16)8-11/h3-8,13H,2,9H2,1H3,(H2,17,18)
InChIKeyRFAMTFXRCZHFRI-UHFFFAOYSA-N
XLogP3.95
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine (CID 79515008) is 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is CCc1ccc(C2CN=C(N)N2c2cccc(Br)c2)s1.
What is the InChIKey of 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is RFAMTFXRCZHFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-2-12-6-7-14(20-12)13-9-18-15(17)19(13)11-5-3-4-10(16)8-11/h3-8,13H,2,9H2,1H3,(H2,17,18).
What are the key properties of 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine?
1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 350.29 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79515008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).