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

C33H29FN6 — CID 11386975

IUPAC6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(-c6ncc[nH]6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C33H29FN6/c34-27-10-11-29-30(19-27)39-33(38-29)25-12-16-40(17-13-25)21-22-6-8-24(9-7-22)31-28(23-4-2-1-3-5-23)18-26(20-37-31)32-35-14-15-36-32/h1-11,14-15,18-20,25H,12-13,16-17,21H2,(H,35,36)(H,38,39)
InChIKeyLCXALGPBRIZAIK-UHFFFAOYSA-N
MW528.64 g/mol
LogP7.20
Rot. Bonds6

About 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-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 11386975) has the molecular formula C33H29FN6 and a molecular weight of 528.64 g/mol. Its IUPAC name is 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID11386975
Molecular FormulaC33H29FN6
Molecular Weight528.64 g/mol
Exact Mass528.24
IUPAC Name6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(-c6ncc[nH]6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C33H29FN6/c34-27-10-11-29-30(19-27)39-33(38-29)25-12-16-40(17-13-25)21-22-6-8-24(9-7-22)31-28(23-4-2-1-3-5-23)18-26(20-37-31)32-35-14-15-36-32/h1-11,14-15,18-20,25H,12-13,16-17,21H2,(H,35,36)(H,38,39)
InChIKeyLCXALGPBRIZAIK-UHFFFAOYSA-N
XLogP7.20
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.64
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole (CID 11386975) is 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole is Fc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(-c6ncc[nH]6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is LCXALGPBRIZAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29FN6/c34-27-10-11-29-30(19-27)39-33(38-29)25-12-16-40(17-13-25)21-22-6-8-24(9-7-22)31-28(23-4-2-1-3-5-23)18-26(20-37-31)32-35-14-15-36-32/h1-11,14-15,18-20,25H,12-13,16-17,21H2,(H,35,36)(H,38,39).
What are the key properties of 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-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 528.64 g/mol, XLogP of 7.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[[4-[5-(1H-imidazol-2-yl)-3-phenyl-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 11386975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).