2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole

C22H22FN5 — CID 131927341

IUPAC2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESFc1ccc(-n2cccn2)c(CN2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H22FN5/c23-18-8-9-21(28-12-4-10-24-28)17(13-18)15-27-11-3-5-16(14-27)22-25-19-6-1-2-7-20(19)26-22/h1-2,4,6-10,12-13,16H,3,5,11,14-15H2,(H,25,26)
InChIKeyFLJKRODUSMVLTM-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.27
Rot. Bonds4

About 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole

2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole (PubChem CID 131927341) has the molecular formula C22H22FN5 and a molecular weight of 375.45 g/mol. Its IUPAC name is 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
PubChem CID131927341
Molecular FormulaC22H22FN5
Molecular Weight375.45 g/mol
Exact Mass375.19
IUPAC Name2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
SMILESFc1ccc(-n2cccn2)c(CN2CCCC(c3nc4ccccc4[nH]3)C2)c1
InChIInChI=1S/C22H22FN5/c23-18-8-9-21(28-12-4-10-24-28)17(13-18)15-27-11-3-5-16(14-27)22-25-19-6-1-2-7-20(19)26-22/h1-2,4,6-10,12-13,16H,3,5,11,14-15H2,(H,25,26)
InChIKeyFLJKRODUSMVLTM-UHFFFAOYSA-N
XLogP4.27
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 43981509
2-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 70752239
2-[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802957
(3S,4S)-1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135113021
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
4-[[3-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70723239
2-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 16802949
1-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137341336
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
2-[4-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 45179635
2-[4-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]piperidin-1-yl]-6-fluoro-4-methylquinazoline
CID 45192143
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The IUPAC name of 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole (CID 131927341) is 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole is Fc1ccc(-n2cccn2)c(CN2CCCC(c3nc4ccccc4[nH]3)C2)c1.
What is the InChIKey of 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
The InChIKey is FLJKRODUSMVLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5/c23-18-8-9-21(28-12-4-10-24-28)17(13-18)15-27-11-3-5-16(14-27)22-25-19-6-1-2-7-20(19)26-22/h1-2,4,6-10,12-13,16H,3,5,11,14-15H2,(H,25,26).
What are the key properties of 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole?
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole has a molecular weight of 375.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 131927341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).