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

C31H27FN8 — CID 11341558

IUPAC6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C31H27FN8/c32-25-10-11-27-28(17-25)35-30(34-27)23-12-14-40(15-13-23)19-20-6-8-22(9-7-20)29-26(21-4-2-1-3-5-21)16-24(18-33-29)31-36-38-39-37-31/h1-11,16-18,23H,12-15,19H2,(H,34,35)(H,36,37,38,39)
InChIKeyPLIPTRZNWFRKNU-UHFFFAOYSA-N
MW530.61 g/mol
LogP5.99
Rot. Bonds6

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

6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole (PubChem CID 11341558) has the molecular formula C31H27FN8 and a molecular weight of 530.61 g/mol. Its IUPAC name is 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
PubChem CID11341558
Molecular FormulaC31H27FN8
Molecular Weight530.61 g/mol
Exact Mass530.23
IUPAC Name6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1
InChIInChI=1S/C31H27FN8/c32-25-10-11-27-28(17-25)35-30(34-27)23-12-14-40(15-13-23)19-20-6-8-22(9-7-20)29-26(21-4-2-1-3-5-21)16-24(18-33-29)31-36-38-39-37-31/h1-11,16-18,23H,12-15,19H2,(H,34,35)(H,36,37,38,39)
InChIKeyPLIPTRZNWFRKNU-UHFFFAOYSA-N
XLogP5.99
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole (CID 11341558) is 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole is Fc1ccc2nc(C3CCN(Cc4ccc(-c5ncc(-c6nn[nH]n6)cc5-c5ccccc5)cc4)CC3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
The InChIKey is PLIPTRZNWFRKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27FN8/c32-25-10-11-27-28(17-25)35-30(34-27)23-12-14-40(15-13-23)19-20-6-8-22(9-7-20)29-26(21-4-2-1-3-5-21)16-24(18-33-29)31-36-38-39-37-31/h1-11,16-18,23H,12-15,19H2,(H,34,35)(H,36,37,38,39).
What are the key properties of 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole?
6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole has a molecular weight of 530.61 g/mol, XLogP of 5.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[[4-[3-phenyl-5-(2H-tetrazol-5-yl)-2-pyridinyl]phenyl]methyl]piperidin-4-yl]-1H-benzimidazole is sourced from PubChem (CID 11341558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).