[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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Related Compounds

2-(4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 46861576
2-(3,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679822
2-(3-bromo-4-fluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679592
2-(2,4-difluorophenyl)-N-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1-methylbenzimidazol-4-amine
CID 66679431
[6-[[2-(1-chloro-2,2,2-trifluoroethyl)imidazo[1,2-a]pyridin-8-yl]amino]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 58449925
[5-[[2-(4-fluorophenyl)-1-methylbenzimidazol-4-yl]amino]-2-(4-methyl-1,3-oxazol-5-yl)phenyl]methanol
CID 58515592
N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-1,6-dimethylimidazo[4,5-c]pyridin-4-amine;methanesulfonic acid
CID 46869587
2-(4-fluorophenyl)-N-[3-methoxy-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-1-methylbenzimidazol-4-amine
CID 66679084
5-cyclopropyl-N-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyridin-7-amine
CID 66679511
[5-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-8-yl]amino]-2-(4-methylimidazol-1-yl)phenyl]methanol
CID 58449879
[3-(4-methylimidazol-1-yl)-6-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 134391164
[6-[6-[(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)amino]-2-pyridinyl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol
CID 118685007

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).