6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol

C85H57F7N22O6 — CID 160747367

IUPAC6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
SMILESCc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.N#Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1F.N#Cc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H11F3N4O2.C17H11F3N4O.C17H10FN5O.C17H11N5O.C17H14N4O/c18-17(19,20)26-10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9;18-17(19,20)10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9;18-11-7-13-12(6-10(11)8-19)20-17(21-13)15-16(24)14(22-23-15)9-4-2-1-3-5-9;18-9-10-6-7-12-13(8-10)20-17(19-12)15-16(23)14(21-22-15)11-4-2-1-3-5-11;1-10-7-8-12-13(9-10)19-17(18-12)15-16(22)14(20-21-15)11-5-3-2-4-6-11/h1-8,25H,(H,21,22)(H,23,24);1-8,25H,(H,21,22)(H,23,24);1-7,24H,(H,20,21)(H,22,23);1-8,23H,(H,19,20)(H,21,22);2-9,22H,1H3,(H,18,19)(H,20,21)
InChIKeyRWJAKPDJKMBXAX-UHFFFAOYSA-N
MW1615.52 g/mol
LogP18.74
Rot. Bonds11

About 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol

6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol (PubChem CID 160747367) has the molecular formula C85H57F7N22O6 and a molecular weight of 1615.52 g/mol. Its IUPAC name is 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol.

Molecular Properties

Compound Name6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
PubChem CID160747367
Molecular FormulaC85H57F7N22O6
Molecular Weight1615.52 g/mol
Exact Mass1614.47
IUPAC Name6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
SMILESCc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.N#Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1F.N#Cc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1
InChIInChI=1S/C17H11F3N4O2.C17H11F3N4O.C17H10FN5O.C17H11N5O.C17H14N4O/c18-17(19,20)26-10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9;18-17(19,20)10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9;18-11-7-13-12(6-10(11)8-19)20-17(21-13)15-16(24)14(22-23-15)9-4-2-1-3-5-9;18-9-10-6-7-12-13(8-10)20-17(19-12)15-16(23)14(21-22-15)11-4-2-1-3-5-11;1-10-7-8-12-13(9-10)19-17(18-12)15-16(22)14(20-21-15)11-5-3-2-4-6-11/h1-8,25H,(H,21,22)(H,23,24);1-8,25H,(H,21,22)(H,23,24);1-7,24H,(H,20,21)(H,22,23);1-8,23H,(H,19,20)(H,21,22);2-9,22H,1H3,(H,18,19)(H,20,21)
InChIKeyRWJAKPDJKMBXAX-UHFFFAOYSA-N
XLogP18.74
TPSA444.76 Ų
H-Bond Donors15
H-Bond Acceptors18
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001615.52
LogP ≤ 518.74
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1018

Analyze 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol with MolForge

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Related Compounds

3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
CID 135988759
5-(6-tert-butyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenyl-2H-pyrrol-4-ol;5-(5,6-dichloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol
CID 157524862
3-[4-[3-(Aminomethyl)phenyl]phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3,5-dimethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-methoxyphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(3-methylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)-3-[4-[3-(trifluoromethyl)phenyl]phenyl]pyrazol-4-ol
CID 160278981
4-[4-hydroxy-5-(6-methoxy-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]benzonitrile
CID 135988702
5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 135988749
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-phosphanylphosphanyl]phosphanyl]phosphanyl]phosphane;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate;methane
CID 158349675
[5-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-2-(hydroxymethyl)phenyl]methanol;[3-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-methoxyphenyl]methanol;[4-[5-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]phenyl]methanol;5-fluoro-6-methyl-2-(3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole
CID 158696379
bis(6-methyl-2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole);2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-amine;2-[(4-phenoxyphenyl)methyl]-1H-benzimidazole;2-[(4-phenoxyphenyl)methyl]-1H-benzimidazol-4-ol;2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-ol;O-[[2-[(4-phenoxyphenyl)methyl]-3H-benzimidazol-5-yl]oxy]hydroxylamine;hydrate
CID 159244613
3-(1H-benzimidazol-2-yl)-5-(2-fluorophenyl)-1H-indazole;3-[3-(1H-benzimidazol-2-yl)-1H-indazol-5-yl]phenol;3-(1H-benzimidazol-2-yl)-5-(3-methoxyphenyl)-1H-indazole;3-(1H-benzimidazol-2-yl)-5-phenyl-1H-indazole;3,5-bis[(E)-2-phenylethenyl]-2H-indazole;5-phenyl-3-[(E)-2-phenylethenyl]-1H-indazole
CID 159371117
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-ol;methane;6-methoxy-2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-1H-benzimidazole
CID 160694957
5-(6-tert-butyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;5-(6-chloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-(5-chloro-6-fluoro-1H-benzimidazol-2-yl)-5-phenyl-2H-pyrrol-4-ol;5-(5,6-dichloro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;5-(6-fluoro-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;5-(6-methoxy-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol
CID 161821080

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The IUPAC name of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol (CID 160747367) is 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol.
What is the SMILES notation for 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The canonical SMILES for 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol is Cc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.N#Cc1cc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2cc1F.N#Cc1ccc2nc(-c3[nH]nc(-c4ccccc4)c3O)[nH]c2c1.Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(C(F)(F)F)cc2[nH]1.Oc1c(-c2ccccc2)n[nH]c1-c1nc2ccc(OC(F)(F)F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
The InChIKey is RWJAKPDJKMBXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2.C17H11F3N4O.C17H10FN5O.C17H11N5O.C17H14N4O/c18-17(19,20)26-10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9;18-17(19,20)10-6-7-11-12(8-10)22-16(21-11)14-15(25)13(23-24-14)9-4-2-1-3-5-9;18-11-7-13-12(6-10(11)8-19)20-17(21-13)15-16(24)14(22-23-15)9-4-2-1-3-5-9;18-9-10-6-7-12-13(8-10)20-17(19-12)15-16(23)14(21-22-15)11-4-2-1-3-5-11;1-10-7-8-12-13(9-10)19-17(18-12)15-16(22)14(20-21-15)11-5-3-2-4-6-11/h1-8,25H,(H,21,22)(H,23,24);1-8,25H,(H,21,22)(H,23,24);1-7,24H,(H,20,21)(H,22,23);1-8,23H,(H,19,20)(H,21,22);2-9,22H,1H3,(H,18,19)(H,20,21).
What are the key properties of 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol?
6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol has a molecular weight of 1615.52 g/mol, XLogP of 18.74, 11 rotatable bonds, 15 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-1H-benzimidazole-5-carbonitrile;2-(4-hydroxy-3-phenyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile;5-(6-methyl-1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol;3-phenyl-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ol is sourced from PubChem (CID 160747367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).