dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate

C51H49Cs2FN6O9 — CID 157414398

IUPACdicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate
SMILESO=C(c1ccc(O)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2C2CCC(O)CC2)cc1)c1nc2ccccc2[nH]1.O=CO[O-].OC1CCC(c2cccnc2F)CC1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C25H23N3O3.C14H10N2O2.C11H14FNO.CH2O3.2Cs.H/c29-18-11-7-16(8-12-18)20-4-3-15-26-25(20)31-19-13-9-17(10-14-19)23(30)24-27-21-5-1-2-6-22(21)28-24;17-10-7-5-9(6-8-10)13(18)14-15-11-3-1-2-4-12(11)16-14;12-11-10(2-1-7-13-11)8-3-5-9(14)6-4-8;2-1-4-3;;;/h1-6,9-10,13-16,18,29H,7-8,11-12H2,(H,27,28);1-8,17H,(H,15,16);1-2,7-9,14H,3-6H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyYRRBMIRXNNNKFW-UHFFFAOYSA-M
MW1174.79 g/mol
LogP2.29
Rot. Bonds9

About dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate

dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate (PubChem CID 157414398) has the molecular formula C51H49Cs2FN6O9 and a molecular weight of 1174.79 g/mol. Its IUPAC name is dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate.

Molecular Properties

Compound Namedicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate
PubChem CID157414398
Molecular FormulaC51H49Cs2FN6O9
Molecular Weight1174.79 g/mol
Exact Mass1174.17
IUPAC Namedicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate
SMILESO=C(c1ccc(O)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2C2CCC(O)CC2)cc1)c1nc2ccccc2[nH]1.O=CO[O-].OC1CCC(c2cccnc2F)CC1.[Cs+].[Cs+].[H-]
InChIInChI=1S/C25H23N3O3.C14H10N2O2.C11H14FNO.CH2O3.2Cs.H/c29-18-11-7-16(8-12-18)20-4-3-15-26-25(20)31-19-13-9-17(10-14-19)23(30)24-27-21-5-1-2-6-22(21)28-24;17-10-7-5-9(6-8-10)13(18)14-15-11-3-1-2-4-12(11)16-14;12-11-10(2-1-7-13-11)8-3-5-9(14)6-4-8;2-1-4-3;;;/h1-6,9-10,13-16,18,29H,7-8,11-12H2,(H,27,28);1-8,17H,(H,15,16);1-2,7-9,14H,3-6H2;1,3H;;;/q;;;;2*+1;-1/p-1
InChIKeyYRRBMIRXNNNKFW-UHFFFAOYSA-M
XLogP2.29
TPSA236.56 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001174.79
LogP ≤ 52.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate with MolForge

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Launch Full Analysis

Related Compounds

1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
CID 59326858
1H-benzimidazol-2-yl-[4-[3-(4-hydroxypiperidin-1-yl)pyrazin-2-yl]oxyphenyl]methanone
CID 46208072
4-[[5-[5-(6-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 71571718
(3R)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
CID 46189861
(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
CID 46215205
1H-benzimidazol-2-yl-[4-[(3-quinolin-4-yl-2-pyridinyl)oxy]phenyl]methanone
CID 46215374
1H-Benzimidazol-2-yl[4-([3,4'-bipyridin]-2-yloxy)phenyl]methanone
CID 46216063
1H-benzimidazol-2-yl-[4-[[3-(4-methoxy-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326774
1H-benzimidazol-2-yl-[4-[[3-[(3S)-oxolan-3-yl]-2-pyridinyl]oxy]phenyl]methanone
CID 59326781
1H-benzimidazol-2-yl-[4-[[3-(6-methyl-3-pyridinyl)-2-pyridinyl]oxy]phenyl]methanone
CID 59326788
1H-benzimidazol-2-yl-[4-[[3-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-2-pyridinyl]oxy]phenyl]methanone
CID 59326796
1H-benzimidazol-2-yl-[4-[(3-pyridin-3-yl-2-pyridinyl)oxy]phenyl]methanone
CID 59326828

Frequently Asked Questions

What is the IUPAC name of dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate?
The IUPAC name of dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate (CID 157414398) is dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate.
What is the SMILES notation for dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate?
The canonical SMILES for dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate is O=C(c1ccc(O)cc1)c1nc2ccccc2[nH]1.O=C(c1ccc(Oc2ncccc2C2CCC(O)CC2)cc1)c1nc2ccccc2[nH]1.O=CO[O-].OC1CCC(c2cccnc2F)CC1.[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate?
The InChIKey is YRRBMIRXNNNKFW-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23N3O3.C14H10N2O2.C11H14FNO.CH2O3.2Cs.H/c29-18-11-7-16(8-12-18)20-4-3-15-26-25(20)31-19-13-9-17(10-14-19)23(30)24-27-21-5-1-2-6-22(21)28-24;17-10-7-5-9(6-8-10)13(18)14-15-11-3-1-2-4-12(11)16-14;12-11-10(2-1-7-13-11)8-3-5-9(14)6-4-8;2-1-4-3;;;/h1-6,9-10,13-16,18,29H,7-8,11-12H2,(H,27,28);1-8,17H,(H,15,16);1-2,7-9,14H,3-6H2;1,3H;;;/q;;;;2*+1;-1/p-1.
What are the key properties of dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate?
dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate has a molecular weight of 1174.79 g/mol, XLogP of 2.29, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;1H-benzimidazol-2-yl-[4-[[3-(4-hydroxycyclohexyl)-2-pyridinyl]oxy]phenyl]methanone;1H-benzimidazol-2-yl-(4-hydroxyphenyl)methanone;4-(2-fluoro-3-pyridinyl)cyclohexan-1-ol;hydride;oxido formate is sourced from PubChem (CID 157414398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).