2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol

C25H22F2N6O — CID 10742620

IUPAC2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
SMILESCCCc1nc2ccccc2n1C(F)(F)C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H22F2N6O/c1-2-7-22-28-20-10-5-6-11-21(20)33(22)25(26,27)23(34)17-14-12-16(13-15-17)18-8-3-4-9-19(18)24-29-31-32-30-24/h3-6,8-15,23,34H,2,7H2,1H3,(H,29,30,31,32)
InChIKeyXMQVYNKVIAGRNA-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.12
Rot. Bonds7

About 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol

2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol (PubChem CID 10742620) has the molecular formula C25H22F2N6O and a molecular weight of 460.49 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
PubChem CID10742620
Molecular FormulaC25H22F2N6O
Molecular Weight460.49 g/mol
Exact Mass460.18
IUPAC Name2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol
SMILESCCCc1nc2ccccc2n1C(F)(F)C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C25H22F2N6O/c1-2-7-22-28-20-10-5-6-11-21(20)33(22)25(26,27)23(34)17-14-12-16(13-15-17)18-8-3-4-9-19(18)24-29-31-32-30-24/h3-6,8-15,23,34H,2,7H2,1H3,(H,29,30,31,32)
InChIKeyXMQVYNKVIAGRNA-UHFFFAOYSA-N
XLogP5.12
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
The IUPAC name of 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol (CID 10742620) is 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol.
What is the SMILES notation for 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
The canonical SMILES for 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol is CCCc1nc2ccccc2n1C(F)(F)C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
The InChIKey is XMQVYNKVIAGRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O/c1-2-7-22-28-20-10-5-6-11-21(20)33(22)25(26,27)23(34)17-14-12-16(13-15-17)18-8-3-4-9-19(18)24-29-31-32-30-24/h3-6,8-15,23,34H,2,7H2,1H3,(H,29,30,31,32).
What are the key properties of 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol?
2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol has a molecular weight of 460.49 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-propylbenzimidazol-1-yl)-1-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]ethanol is sourced from PubChem (CID 10742620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).