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

C27H24Cl2F2N2O — CID 51039905

IUPAC2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(CC3CCCCC3c3ccc(Cl)cc3OCc3ccccc3Cl)[nH]c2cc1F
InChIInChI=1S/C27H24Cl2F2N2O/c28-18-9-10-20(26(12-18)34-15-17-6-2-4-8-21(17)29)19-7-3-1-5-16(19)11-27-32-24-13-22(30)23(31)14-25(24)33-27/h2,4,6,8-10,12-14,16,19H,1,3,5,7,11,15H2,(H,32,33)
InChIKeyWJMWEKGRDIWMOL-UHFFFAOYSA-N
MW501.40 g/mol
LogP8.24
Rot. Bonds6

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

2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole (PubChem CID 51039905) has the molecular formula C27H24Cl2F2N2O and a molecular weight of 501.40 g/mol. Its IUPAC name is 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
PubChem CID51039905
Molecular FormulaC27H24Cl2F2N2O
Molecular Weight501.40 g/mol
Exact Mass500.12
IUPAC Name2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(CC3CCCCC3c3ccc(Cl)cc3OCc3ccccc3Cl)[nH]c2cc1F
InChIInChI=1S/C27H24Cl2F2N2O/c28-18-9-10-20(26(12-18)34-15-17-6-2-4-8-21(17)29)19-7-3-1-5-16(19)11-27-32-24-13-22(30)23(31)14-25(24)33-27/h2,4,6,8-10,12-14,16,19H,1,3,5,7,11,15H2,(H,32,33)
InChIKeyWJMWEKGRDIWMOL-UHFFFAOYSA-N
XLogP8.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.40
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole with MolForge

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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-[[4-(2H-tetrazol-5-yl)phenyl]methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole
CID 51040331
2-[(2-chlorophenyl)methyl]-5,6-difluoro-1H-benzimidazole
CID 60978242
2-[(4-chlorophenoxy)methyl]-5,6-difluoro-1H-benzimidazole
CID 60979188
5,6-difluoro-2-(phenoxymethyl)-1H-benzimidazole
CID 55025178
5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
6-chloro-2-(cyclopropylmethyl)-1H-benzimidazole
CID 64724517
5,6-difluoro-2-[(2-fluorophenyl)methyl]-1H-benzimidazole
CID 60979569
5,6-dichloro-2-[(3-chlorophenoxy)methyl]-1H-benzimidazole
CID 82004585
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
CID 114458309
3-[(5,6-difluoro-1H-benzimidazol-2-yl)methoxy]aniline
CID 63747407
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole (CID 51039905) is 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(CC3CCCCC3c3ccc(Cl)cc3OCc3ccccc3Cl)[nH]c2cc1F.
What is the InChIKey of 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
The InChIKey is WJMWEKGRDIWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F2N2O/c28-18-9-10-20(26(12-18)34-15-17-6-2-4-8-21(17)29)19-7-3-1-5-16(19)11-27-32-24-13-22(30)23(31)14-25(24)33-27/h2,4,6,8-10,12-14,16,19H,1,3,5,7,11,15H2,(H,32,33).
What are the key properties of 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole?
2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole has a molecular weight of 501.40 g/mol, XLogP of 8.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-chloro-2-[(2-chlorophenyl)methoxy]phenyl]cyclohexyl]methyl]-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 51039905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).