2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile

C26H21N7O — CID 66551615

IUPAC2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile
SMILESN#Cc1cc(-c2cccc(-n3cnc4ccc(-c5nn[nH]n5)cc43)c2)ccc1OC1CCCC1
InChIInChI=1S/C26H21N7O/c27-15-20-12-18(9-11-25(20)34-22-6-1-2-7-22)17-4-3-5-21(13-17)33-16-28-23-10-8-19(14-24(23)33)26-29-31-32-30-26/h3-5,8-14,16,22H,1-2,6-7H2,(H,29,30,31,32)
InChIKeyLFPFRTHVYQWPSS-UHFFFAOYSA-N
MW447.50 g/mol
LogP5.07
Rot. Bonds5

About 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile

2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile (PubChem CID 66551615) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile.

Molecular Properties

Compound Name2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile
PubChem CID66551615
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile
SMILESN#Cc1cc(-c2cccc(-n3cnc4ccc(-c5nn[nH]n5)cc43)c2)ccc1OC1CCCC1
InChIInChI=1S/C26H21N7O/c27-15-20-12-18(9-11-25(20)34-22-6-1-2-7-22)17-4-3-5-21(13-17)33-16-28-23-10-8-19(14-24(23)33)26-29-31-32-30-26/h3-5,8-14,16,22H,1-2,6-7H2,(H,29,30,31,32)
InChIKeyLFPFRTHVYQWPSS-UHFFFAOYSA-N
XLogP5.07
TPSA105.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.50
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile?
The IUPAC name of 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile (CID 66551615) is 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile.
What is the SMILES notation for 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile?
The canonical SMILES for 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile is N#Cc1cc(-c2cccc(-n3cnc4ccc(-c5nn[nH]n5)cc43)c2)ccc1OC1CCCC1.
What is the InChIKey of 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile?
The InChIKey is LFPFRTHVYQWPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c27-15-20-12-18(9-11-25(20)34-22-6-1-2-7-22)17-4-3-5-21(13-17)33-16-28-23-10-8-19(14-24(23)33)26-29-31-32-30-26/h3-5,8-14,16,22H,1-2,6-7H2,(H,29,30,31,32).
What are the key properties of 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile?
2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile has a molecular weight of 447.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-5-[3-[6-(2H-tetrazol-5-yl)benzimidazol-1-yl]phenyl]benzonitrile is sourced from PubChem (CID 66551615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).