[2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol

C34H31FN6O — CID 11432933

IUPAC[2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(-c2cnc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C34H31FN6O/c35-27-10-11-30-31(17-27)40-34(39-30)25-12-14-41(15-13-25)20-22-6-8-24(9-7-22)32-29(23-4-2-1-3-5-23)16-26(18-36-32)33-37-19-28(21-42)38-33/h1-11,16-19,25,42H,12-15,20-21H2,(H,37,38)(H,39,40)
InChIKeyDQQXLNNTZAPVGI-UHFFFAOYSA-N
MW558.66 g/mol
LogP6.69
Rot. Bonds7

About [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol

[2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol (PubChem CID 11432933) has the molecular formula C34H31FN6O and a molecular weight of 558.66 g/mol. Its IUPAC name is [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol
PubChem CID11432933
Molecular FormulaC34H31FN6O
Molecular Weight558.66 g/mol
Exact Mass558.25
IUPAC Name[2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol
SMILESOCc1cnc(-c2cnc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)c2)[nH]1
InChIInChI=1S/C34H31FN6O/c35-27-10-11-30-31(17-27)40-34(39-30)25-12-14-41(15-13-25)20-22-6-8-24(9-7-22)32-29(23-4-2-1-3-5-23)16-26(18-36-32)33-37-19-28(21-42)38-33/h1-11,16-19,25,42H,12-15,20-21H2,(H,37,38)(H,39,40)
InChIKeyDQQXLNNTZAPVGI-UHFFFAOYSA-N
XLogP6.69
TPSA93.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.66
LogP ≤ 56.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-2-[1-[[4-[6-fluoro-5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
CID 11432755
2-chloroacetaldehyde;6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenylpyridine-3-carboximidamide;6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;6-fluoro-2-[1-[[4-(5-isocyano-3-phenyl-2-pyridinyl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazole;methane;oxolane
CID 160606075
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615105
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-6-methoxy-3-phenylquinoxaline
CID 51049798
6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75131930
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
N-[2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxalin-6-yl]methanesulfonamide
CID 10312197
2-[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 135290527
(3-benzylazetidin-3-yl)-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 166618672
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 44524473
2-[1-[(4-phenylphenyl)methyl]azetidin-3-yl]-1H-benzimidazole
CID 166392326

Frequently Asked Questions

What is the IUPAC name of [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol (CID 11432933) is [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol is OCc1cnc(-c2cnc(-c3ccc(CN4CCC(c5nc6ccc(F)cc6[nH]5)CC4)cc3)c(-c3ccccc3)c2)[nH]1.
What is the InChIKey of [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol?
The InChIKey is DQQXLNNTZAPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31FN6O/c35-27-10-11-30-31(17-27)40-34(39-30)25-12-14-41(15-13-25)20-22-6-8-24(9-7-22)32-29(23-4-2-1-3-5-23)16-26(18-36-32)33-37-19-28(21-42)38-33/h1-11,16-19,25,42H,12-15,20-21H2,(H,37,38)(H,39,40).
What are the key properties of [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol?
[2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol has a molecular weight of 558.66 g/mol, XLogP of 6.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-[4-[[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-5-phenyl-3-pyridinyl]-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 11432933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).