[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

C112H98F6N24O10 — CID 158696379

IUPAC[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
SMILESCOc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(F)c(C)cc3[nH]2)[nH]n1.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)cc4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1F
InChIInChI=1S/C20H19FN4O3.3C19H17FN4O2.C18H15FN4O.C17H13FN4/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2;1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2;1-10-5-15-16(7-13(10)20)22-19(21-15)17-8-14(23-24-17)12-4-3-11(9-25)6-18(12)26-2;1-10-4-16-17(6-14(10)20)22-19(21-16)18-7-15(23-24-18)11-2-3-12(8-25)13(5-11)9-26;1-10-6-15-16(7-13(10)19)21-18(20-15)17-8-14(22-23-17)12-4-2-11(9-24)3-5-12;1-10-7-14-15(8-12(10)18)20-17(19-14)16-9-13(21-22-16)11-5-3-2-4-6-11/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25);2*3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24);2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24);2-8,24H,9H2,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyIGZQAVHVPWWHMC-UHFFFAOYSA-N
MW2054.16 g/mol
LogP20.88
Rot. Bonds22

About [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

[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 (PubChem CID 158696379) has the molecular formula C112H98F6N24O10 and a molecular weight of 2054.16 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID158696379
Molecular FormulaC112H98F6N24O10
Molecular Weight2054.16 g/mol
Exact Mass2052.78
IUPAC Name[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
SMILESCOc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(F)c(C)cc3[nH]2)[nH]n1.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)cc4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1F
InChIInChI=1S/C20H19FN4O3.3C19H17FN4O2.C18H15FN4O.C17H13FN4/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2;1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2;1-10-5-15-16(7-13(10)20)22-19(21-15)17-8-14(23-24-17)12-4-3-11(9-25)6-18(12)26-2;1-10-4-16-17(6-14(10)20)22-19(21-16)18-7-15(23-24-18)11-2-3-12(8-25)13(5-11)9-26;1-10-6-15-16(7-13(10)19)21-18(20-15)17-8-14(22-23-17)12-4-2-11(9-24)3-5-12;1-10-7-14-15(8-12(10)18)20-17(19-14)16-9-13(21-22-16)11-5-3-2-4-6-11/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25);2*3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24);2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24);2-8,24H,9H2,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22)
InChIKeyIGZQAVHVPWWHMC-UHFFFAOYSA-N
XLogP20.88
TPSA513.46 Ų
H-Bond Donors19
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002054.16
LogP ≤ 520.88
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1022

Analyze [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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is COc1cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)cc(CO)c1CO.COc1cc(CO)cc(-c2cc(-c3nc4cc(F)c(C)cc4[nH]3)[nH]n2)c1.COc1cc(CO)ccc1-c1cc(-c2nc3cc(F)c(C)cc3[nH]2)[nH]n1.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)c(CO)c4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccc(CO)cc4)n[nH]3)nc2cc1F.Cc1cc2[nH]c(-c3cc(-c4ccccc4)n[nH]3)nc2cc1F.
What is the InChIKey of [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?
The InChIKey is IGZQAVHVPWWHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3.3C19H17FN4O2.C18H15FN4O.C17H13FN4/c1-10-3-16-17(6-14(10)21)23-20(22-16)18-7-15(24-25-18)11-4-12(8-26)13(9-27)19(5-11)28-2;1-10-3-16-17(7-14(10)20)22-19(21-16)18-8-15(23-24-18)12-4-11(9-25)5-13(6-12)26-2;1-10-5-15-16(7-13(10)20)22-19(21-15)17-8-14(23-24-17)12-4-3-11(9-25)6-18(12)26-2;1-10-4-16-17(6-14(10)20)22-19(21-16)18-7-15(23-24-18)11-2-3-12(8-25)13(5-11)9-26;1-10-6-15-16(7-13(10)19)21-18(20-15)17-8-14(22-23-17)12-4-2-11(9-24)3-5-12;1-10-7-14-15(8-12(10)18)20-17(19-14)16-9-13(21-22-16)11-5-3-2-4-6-11/h3-7,26-27H,8-9H2,1-2H3,(H,22,23)(H,24,25);2*3-8,25H,9H2,1-2H3,(H,21,22)(H,23,24);2-7,25-26H,8-9H2,1H3,(H,21,22)(H,23,24);2-8,24H,9H2,1H3,(H,20,21)(H,22,23);2-9H,1H3,(H,19,20)(H,21,22).
What are the key properties of [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?
[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 has a molecular weight of 2054.16 g/mol, XLogP of 20.88, 22 rotatable bonds, 19 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 158696379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).