1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile

C83H84F8N10O4 — CID 159460065

IUPAC1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile
SMILESN#Cc1ccc(C2CCC(=O)CC2)cc1.N#Cc1ccc(C2CCC(F)(F)CC2)cc1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1NC[C@H](c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=Cc1ccc(C2CCC(F)(F)CC2)cc1
InChIInChI=1S/2C22H22F2N4O.C13H13F2N.C13H14F2O.C13H13NO/c2*23-22(24)9-7-15(8-10-22)14-1-3-16(4-2-14)20-12-25-21(29)28(20)17-5-6-18-19(11-17)27-13-26-18;2*14-13(15)7-5-12(6-8-13)11-3-1-10(9-16)2-4-11;14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h2*1-6,11,13,15,20H,7-10,12H2,(H,25,29)(H,26,27);1-4,12H,5-8H2;1-4,9,12H,5-8H2;1-4,12H,5-8H2/t20-;;;;/m1..../s1
InChIKeyLUMCIXVLNZCJBY-YFDXKITBSA-N
MW1437.63 g/mol
LogP20.68
Rot. Bonds10

About 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile

1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile (PubChem CID 159460065) has the molecular formula C83H84F8N10O4 and a molecular weight of 1437.63 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile
PubChem CID159460065
Molecular FormulaC83H84F8N10O4
Molecular Weight1437.63 g/mol
Exact Mass1436.65
IUPAC Name1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile
SMILESN#Cc1ccc(C2CCC(=O)CC2)cc1.N#Cc1ccc(C2CCC(F)(F)CC2)cc1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1NC[C@H](c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=Cc1ccc(C2CCC(F)(F)CC2)cc1
InChIInChI=1S/2C22H22F2N4O.C13H13F2N.C13H14F2O.C13H13NO/c2*23-22(24)9-7-15(8-10-22)14-1-3-16(4-2-14)20-12-25-21(29)28(20)17-5-6-18-19(11-17)27-13-26-18;2*14-13(15)7-5-12(6-8-13)11-3-1-10(9-16)2-4-11;14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h2*1-6,11,13,15,20H,7-10,12H2,(H,25,29)(H,26,27);1-4,12H,5-8H2;1-4,9,12H,5-8H2;1-4,12H,5-8H2/t20-;;;;/m1..../s1
InChIKeyLUMCIXVLNZCJBY-YFDXKITBSA-N
XLogP20.68
TPSA203.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001437.63
LogP ≤ 520.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile with MolForge

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Related Compounds

7-[1-(4,4-difluorocyclohexyl)benzimidazol-5-yl]-5-[2-(dimethylamino)ethyl-methylamino]-3H-benzimidazole-4-carboxamide;7-[1-(2,2-difluoroethyl)benzimidazol-5-yl]-5-[2-(dimethylamino)ethyl-methylamino]-3H-benzimidazole-4-carboxamide
CID 118338760
bis(1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one);4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile
CID 159460064
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methanone;[4-(2-fluorophenyl)phenyl]-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile
CID 161584479
2-hydroxy-1-[(2R)-2-methyl-4-[2-[4-[2-(trifluoromethyl)-4-[2-[(2R)-4-[2-[4-[2-(trifluoromethyl)benzoyl]-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]piperazin-2-yl]ethyl]benzoyl]-1H-pyrrol-2-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 177019635
[4-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-[4-(2-fluorophenyl)phenyl]methanone;[4-(2-fluorophenyl)phenyl]-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]methanone;4-[4-[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]phenyl]benzonitrile
CID 87399322
4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-phenylbenzamide;N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 157887487
acetic acid;3H-benzimidazol-5-amine;2-(3H-benzimidazol-5-ylamino)-2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]acetonitrile;N-(3H-benzimidazol-5-yl)-1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]ethane-1,2-diamine;4-(1,4-dioxaspiro[4.5]decan-8-yl)benzaldehyde;4-(1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile;oxolane
CID 157978910
acetic acid;3H-benzimidazol-5-amine;2-(3H-benzimidazol-5-ylamino)-2-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]acetonitrile;N-(3H-benzimidazol-5-yl)-1-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]ethane-1,2-diamine;4-(1,4-dioxaspiro[4.5]decan-8-yl)benzaldehyde;4-(1,4-dioxaspiro[4.5]decan-8-yl)benzonitrile;ethane;4-(4-oxocyclohexyl)benzonitrile;oxolane
CID 158605045
1-(3H-benzimidazol-5-yl)-5-[4-(1,4-dioxaspiro[4.5]decan-8-yl)phenyl]imidazolidin-2-one;1-(3H-benzimidazol-5-yl)-5-[4-(4-oxocyclohexyl)phenyl]imidazolidin-2-one
CID 158794555
4-(6-acetamido-1H-benzimidazol-2-yl)-N-cyclohexylbenzamide;4-(6-benzamido-1H-benzimidazol-2-yl)-N-cyclohexylbenzamide;4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide;N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-(cyclopentanecarbonylamino)-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide
CID 159579653
bis(4-[6-(cyclohexanecarbonylamino)-1H-benzimidazol-2-yl]-N-cyclohexylbenzamide);N-[2-[4-(cyclohexylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide;N-cyclohexyl-4-[6-[(2-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-cyclohexyl-4-[6-[(4-methylcyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]benzamide;N-[2-[4-(phenylcarbamoyl)phenyl]-3H-benzimidazol-5-yl]adamantane-1-carboxamide
CID 159764557
1H-benzimidazole-5,6-diamine;1-[4-(bromomethyl)phenyl]-3-methylidenepent-4-ene-1,2-dione;ethanol;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one;3-piperidin-4-yl-1H-benzimidazol-2-one
CID 159799581

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile (CID 159460065) is 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile is N#Cc1ccc(C2CCC(=O)CC2)cc1.N#Cc1ccc(C2CCC(F)(F)CC2)cc1.O=C1NCC(c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=C1NC[C@H](c2ccc(C3CCC(F)(F)CC3)cc2)N1c1ccc2nc[nH]c2c1.O=Cc1ccc(C2CCC(F)(F)CC2)cc1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?
The InChIKey is LUMCIXVLNZCJBY-YFDXKITBSA-N. The full InChI is InChI=1S/2C22H22F2N4O.C13H13F2N.C13H14F2O.C13H13NO/c2*23-22(24)9-7-15(8-10-22)14-1-3-16(4-2-14)20-12-25-21(29)28(20)17-5-6-18-19(11-17)27-13-26-18;2*14-13(15)7-5-12(6-8-13)11-3-1-10(9-16)2-4-11;14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h2*1-6,11,13,15,20H,7-10,12H2,(H,25,29)(H,26,27);1-4,12H,5-8H2;1-4,9,12H,5-8H2;1-4,12H,5-8H2/t20-;;;;/m1..../s1.
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile?
1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile has a molecular weight of 1437.63 g/mol, XLogP of 20.68, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;(5S)-1-(3H-benzimidazol-5-yl)-5-[4-(4,4-difluorocyclohexyl)phenyl]imidazolidin-2-one;4-(4,4-difluorocyclohexyl)benzaldehyde;4-(4,4-difluorocyclohexyl)benzonitrile;4-(4-oxocyclohexyl)benzonitrile is sourced from PubChem (CID 159460065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).