5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile

C19H12ClN3OS — CID 11581407

IUPAC5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
SMILESN#Cc1sc(-n2cnc3cc(Cl)ccc32)cc1OCc1ccccc1
InChIInChI=1S/C19H12ClN3OS/c20-14-6-7-16-15(8-14)22-12-23(16)19-9-17(18(10-21)25-19)24-11-13-4-2-1-3-5-13/h1-9,12H,11H2
InChIKeyFFHZJRRZADLPEY-UHFFFAOYSA-N
MW365.85 g/mol
LogP5.19
Rot. Bonds4

About 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile

5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile (PubChem CID 11581407) has the molecular formula C19H12ClN3OS and a molecular weight of 365.85 g/mol. Its IUPAC name is 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
PubChem CID11581407
Molecular FormulaC19H12ClN3OS
Molecular Weight365.85 g/mol
Exact Mass365.04
IUPAC Name5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
SMILESN#Cc1sc(-n2cnc3cc(Cl)ccc32)cc1OCc1ccccc1
InChIInChI=1S/C19H12ClN3OS/c20-14-6-7-16-15(8-14)22-12-23(16)19-9-17(18(10-21)25-19)24-11-13-4-2-1-3-5-13/h1-9,12H,11H2
InChIKeyFFHZJRRZADLPEY-UHFFFAOYSA-N
XLogP5.19
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.85
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
The IUPAC name of 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile (CID 11581407) is 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile.
What is the SMILES notation for 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
The canonical SMILES for 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile is N#Cc1sc(-n2cnc3cc(Cl)ccc32)cc1OCc1ccccc1.
What is the InChIKey of 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
The InChIKey is FFHZJRRZADLPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3OS/c20-14-6-7-16-15(8-14)22-12-23(16)19-9-17(18(10-21)25-19)24-11-13-4-2-1-3-5-13/h1-9,12H,11H2.
What are the key properties of 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile has a molecular weight of 365.85 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorobenzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile is sourced from PubChem (CID 11581407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).