2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole

C28H25ClF2N6O — CID 51040331

IUPAC2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(CC3CCCCC3c3ccc(Cl)cc3OCc3ccc(-c4nn[nH]n4)cc3)[nH]c2cc1F
InChIInChI=1S/C28H25ClF2N6O/c29-19-9-10-21(26(12-19)38-15-16-5-7-17(8-6-16)28-34-36-37-35-28)20-4-2-1-3-18(20)11-27-32-24-13-22(30)23(31)14-25(24)33-27/h5-10,12-14,18,20H,1-4,11,15H2,(H,32,33)(H,34,35,36,37)
InChIKeyKKFACHBFPZJIJM-UHFFFAOYSA-N
MW535.00 g/mol
LogP6.77
Rot. Bonds7

About 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole

2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 51040331) has the molecular formula C28H25ClF2N6O and a molecular weight of 535.00 g/mol. Its IUPAC name is 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
PubChem CID51040331
Molecular FormulaC28H25ClF2N6O
Molecular Weight535.00 g/mol
Exact Mass534.17
IUPAC Name2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(CC3CCCCC3c3ccc(Cl)cc3OCc3ccc(-c4nn[nH]n4)cc3)[nH]c2cc1F
InChIInChI=1S/C28H25ClF2N6O/c29-19-9-10-21(26(12-19)38-15-16-5-7-17(8-6-16)28-34-36-37-35-28)20-4-2-1-3-18(20)11-27-32-24-13-22(30)23(31)14-25(24)33-27/h5-10,12-14,18,20H,1-4,11,15H2,(H,32,33)(H,34,35,36,37)
InChIKeyKKFACHBFPZJIJM-UHFFFAOYSA-N
XLogP6.77
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.00
LogP ≤ 56.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[4-chloro-2-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclopentyl]methyl]-5,6-difluoro-1H-benzimidazole
CID 53241509
2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
CID 51039905
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
[6-chloro-5-[(4-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]methanol
CID 135358756
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
5-[4-[(3-chlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 10613243
5-[3-chloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593229
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
2-[4-chloro-2-(oxan-2-ylmethoxy)phenyl]-5,6-difluoro-1-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazole
CID 51041168
2-(4-chlorophenyl)-1-[1-cyclohexyl-2-methyl-2-[4-(2H-tetrazol-5-yl)phenoxy]propyl]-5,6-difluorobenzimidazole
CID 46185716
5-[4-[(4-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]-2H-tetrazole
CID 132592973
2-[4-chloro-2-(cyclobutylmethoxy)phenyl]-5,6-difluoro-1-[[2-fluoro-4-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazole
CID 58209248

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole (CID 51040331) is 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(CC3CCCCC3c3ccc(Cl)cc3OCc3ccc(-c4nn[nH]n4)cc3)[nH]c2cc1F.
What is the InChIKey of 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is KKFACHBFPZJIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF2N6O/c29-19-9-10-21(26(12-19)38-15-16-5-7-17(8-6-16)28-34-36-37-35-28)20-4-2-1-3-18(20)11-27-32-24-13-22(30)23(31)14-25(24)33-27/h5-10,12-14,18,20H,1-4,11,15H2,(H,32,33)(H,34,35,36,37).
What are the key properties of 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 535.00 g/mol, XLogP of 6.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-chloro-2-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 51040331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).