N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine

C21H14BrNS2 — CID 166511303

IUPACN-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine
SMILESBrc1ccsc1-c1sccc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H14BrNS2/c22-17-11-13-24-20(17)21-18(12-14-25-21)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeyYYGVFABYHBJELS-UHFFFAOYSA-N
MW424.39 g/mol
LogP7.41
Rot. Bonds4

About N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine

N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine (PubChem CID 166511303) has the molecular formula C21H14BrNS2 and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine
PubChem CID166511303
Molecular FormulaC21H14BrNS2
Molecular Weight424.39 g/mol
Exact Mass422.98
IUPAC NameN-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine
SMILESBrc1ccsc1-c1sccc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H14BrNS2/c22-17-11-13-24-20(17)21-18(12-14-25-21)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H
InChIKeyYYGVFABYHBJELS-UHFFFAOYSA-N
XLogP7.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.39
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine (CID 166511303) is N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine is Brc1ccsc1-c1sccc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine?
The InChIKey is YYGVFABYHBJELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNS2/c22-17-11-13-24-20(17)21-18(12-14-25-21)23-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14H.
What are the key properties of N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine?
N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine has a molecular weight of 424.39 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromothiophen-2-yl)thiophen-3-yl]-1,1-diphenylmethanimine is sourced from PubChem (CID 166511303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).