bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole

C79H79Cl4F5N10 — CID 157477981

IUPACbis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole
SMILESClc1ccc2nc(CC3CCC(c4ccncc4)CC3)[nH]c2c1.FC(F)(F)c1cc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)ccn1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C20H19ClF3N3.2C20H20ClFN2.C19H20ClN3/c21-15-5-6-16-17(11-15)27-19(26-16)9-12-1-3-13(4-2-12)14-7-8-25-18(10-14)20(22,23)24;2*21-16-7-10-18-19(12-16)24-20(23-18)11-13-1-3-14(4-2-13)15-5-8-17(22)9-6-15;20-16-5-6-17-18(12-16)23-19(22-17)11-13-1-3-14(4-2-13)15-7-9-21-10-8-15/h5-8,10-13H,1-4,9H2,(H,26,27);2*5-10,12-14H,1-4,11H2,(H,23,24);5-10,12-14H,1-4,11H2,(H,22,23)
InChIKeyBVUZWLASWOQAPJ-UHFFFAOYSA-N
MW1405.37 g/mol
LogP23.02
Rot. Bonds12

About bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole

bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole (PubChem CID 157477981) has the molecular formula C79H79Cl4F5N10 and a molecular weight of 1405.37 g/mol. Its IUPAC name is bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Namebis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole
PubChem CID157477981
Molecular FormulaC79H79Cl4F5N10
Molecular Weight1405.37 g/mol
Exact Mass1402.52
IUPAC Namebis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole
SMILESClc1ccc2nc(CC3CCC(c4ccncc4)CC3)[nH]c2c1.FC(F)(F)c1cc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)ccn1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C20H19ClF3N3.2C20H20ClFN2.C19H20ClN3/c21-15-5-6-16-17(11-15)27-19(26-16)9-12-1-3-13(4-2-12)14-7-8-25-18(10-14)20(22,23)24;2*21-16-7-10-18-19(12-16)24-20(23-18)11-13-1-3-14(4-2-13)15-5-8-17(22)9-6-15;20-16-5-6-17-18(12-16)23-19(22-17)11-13-1-3-14(4-2-13)15-7-9-21-10-8-15/h5-8,10-13H,1-4,9H2,(H,26,27);2*5-10,12-14H,1-4,11H2,(H,23,24);5-10,12-14H,1-4,11H2,(H,22,23)
InChIKeyBVUZWLASWOQAPJ-UHFFFAOYSA-N
XLogP23.02
TPSA140.50 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.37
LogP ≤ 523.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole with MolForge

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Related Compounds

4-[4-[1-(6-chloro-1H-benzimidazol-2-yl)propyl]cyclohexyl]-6-fluoroquinoline
CID 134285174
4-[4-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]cyclohexyl]-6-fluoroquinoline
CID 139336466
3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenylpyridin-2-amine;hydrochloride
CID 44532871
3-(6-chloro-1H-benzimidazol-2-yl)-5-(4-fluorophenyl)pyridin-2-amine
CID 44532901
2-[(2S)-2-(5,6-dichloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-5-(4-phenylphenyl)pyridin-3-amine
CID 57392616
5,6-dichloro-2-[(2S)-1-[6-[3-[4-(trifluoromethyl)phenyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]-1H-benzimidazole
CID 57394292
5,6-dichloro-2-[(2S)-1-[4-[2-(trifluoromethyl)phenyl]-2-pyridinyl]pyrrolidin-2-yl]-1H-benzimidazole
CID 57394335
6-chloro-2-[6-[(1S,4S)-5-phenyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-1H-benzimidazole
CID 137631604
2-[6-[(1S,4S)-5-benzyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-pyridinyl]-6-chloro-1H-benzimidazole
CID 137653595
6-chloro-2-[2-[4-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-benzimidazole
CID 155555582
US11472788, Example A1a
CID 138664002
US11472788, Example A12
CID 138664419

Frequently Asked Questions

What is the IUPAC name of bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole?
The IUPAC name of bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole (CID 157477981) is bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole.
What is the SMILES notation for bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole?
The canonical SMILES for bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole is Clc1ccc2nc(CC3CCC(c4ccncc4)CC3)[nH]c2c1.FC(F)(F)c1cc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)ccn1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1.Fc1ccc(C2CCC(Cc3nc4ccc(Cl)cc4[nH]3)CC2)cc1.
What is the InChIKey of bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole?
The InChIKey is BVUZWLASWOQAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF3N3.2C20H20ClFN2.C19H20ClN3/c21-15-5-6-16-17(11-15)27-19(26-16)9-12-1-3-13(4-2-12)14-7-8-25-18(10-14)20(22,23)24;2*21-16-7-10-18-19(12-16)24-20(23-18)11-13-1-3-14(4-2-13)15-5-8-17(22)9-6-15;20-16-5-6-17-18(12-16)23-19(22-17)11-13-1-3-14(4-2-13)15-7-9-21-10-8-15/h5-8,10-13H,1-4,9H2,(H,26,27);2*5-10,12-14H,1-4,11H2,(H,23,24);5-10,12-14H,1-4,11H2,(H,22,23).
What are the key properties of bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole?
bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole has a molecular weight of 1405.37 g/mol, XLogP of 23.02, 12 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-chloro-2-[[4-(4-fluorophenyl)cyclohexyl]methyl]-1H-benzimidazole);6-chloro-2-[(4-pyridin-4-ylcyclohexyl)methyl]-1H-benzimidazole;6-chloro-2-[[4-[2-(trifluoromethyl)-4-pyridinyl]cyclohexyl]methyl]-1H-benzimidazole is sourced from PubChem (CID 157477981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).