[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

C24H21FN6O — CID 58065694

IUPAC[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2CO)cn1
InChIInChI=1S/C24H21FN6O/c1-15-12-31(14-26-15)20-10-11-22(28-19(20)13-32)27-18-4-3-5-21-23(18)29-24(30(21)2)16-6-8-17(25)9-7-16/h3-12,14,32H,13H2,1-2H3,(H,27,28)
InChIKeyCBCLGFQYFSSNDT-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.50
Rot. Bonds5

About [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol

[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (PubChem CID 58065694) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
PubChem CID58065694
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
SMILESCc1cn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2CO)cn1
InChIInChI=1S/C24H21FN6O/c1-15-12-31(14-26-15)20-10-11-22(28-19(20)13-32)27-18-4-3-5-21-23(18)29-24(30(21)2)16-6-8-17(25)9-7-16/h3-12,14,32H,13H2,1-2H3,(H,27,28)
InChIKeyCBCLGFQYFSSNDT-UHFFFAOYSA-N
XLogP4.50
TPSA80.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The IUPAC name of [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol (CID 58065694) is [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The canonical SMILES for [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is Cc1cn(-c2ccc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2CO)cn1.
What is the InChIKey of [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
The InChIKey is CBCLGFQYFSSNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-15-12-31(14-26-15)20-10-11-22(28-19(20)13-32)27-18-4-3-5-21-23(18)29-24(30(21)2)16-6-8-17(25)9-7-16/h3-12,14,32H,13H2,1-2H3,(H,27,28).
What are the key properties of [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol?
[6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol has a molecular weight of 428.47 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol is sourced from PubChem (CID 58065694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).