3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

C20H13ClFN3S — CID 10293229

IUPAC3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(Cl)s3)N2)c1
InChIInChI=1S/C20H13ClFN3S/c21-18-9-8-17(26-18)20(15-4-6-16(22)7-5-15)12-24-19(25-20)14-3-1-2-13(10-14)11-23/h1-10H,12H2,(H,24,25)
InChIKeySKAURMUJINGEHA-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.71
Rot. Bonds3

About 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile

3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (PubChem CID 10293229) has the molecular formula C20H13ClFN3S and a molecular weight of 381.86 g/mol. Its IUPAC name is 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
PubChem CID10293229
Molecular FormulaC20H13ClFN3S
Molecular Weight381.86 g/mol
Exact Mass381.05
IUPAC Name3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile
SMILESN#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(Cl)s3)N2)c1
InChIInChI=1S/C20H13ClFN3S/c21-18-9-8-17(26-18)20(15-4-6-16(22)7-5-15)12-24-19(25-20)14-3-1-2-13(10-14)11-23/h1-10H,12H2,(H,24,25)
InChIKeySKAURMUJINGEHA-UHFFFAOYSA-N
XLogP4.71
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The IUPAC name of 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile (CID 10293229) is 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile.
What is the SMILES notation for 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The canonical SMILES for 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is N#Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(Cl)s3)N2)c1.
What is the InChIKey of 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
The InChIKey is SKAURMUJINGEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3S/c21-18-9-8-17(26-18)20(15-4-6-16(22)7-5-15)12-24-19(25-20)14-3-1-2-13(10-14)11-23/h1-10H,12H2,(H,24,25).
What are the key properties of 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile?
3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile has a molecular weight of 381.86 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(5-chlorothiophen-2-yl)-5-(4-fluorophenyl)-1,4-dihydroimidazol-2-yl]benzonitrile is sourced from PubChem (CID 10293229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).