N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide

C22H21FN6O — CID 91887901

IUPACN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H21FN6O/c23-16-6-3-14(4-7-16)19-11-21(28-27-19)29-9-1-2-17(12-29)26-22(30)15-5-8-18-20(10-15)25-13-24-18/h3-8,10-11,13,17H,1-2,9,12H2,(H,24,25)(H,26,30)(H,27,28)
InChIKeyOWZMVDHSJHUDMC-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.49
Rot. Bonds4

About N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide

N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 91887901) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID91887901
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC NameN-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C22H21FN6O/c23-16-6-3-14(4-7-16)19-11-21(28-27-19)29-9-1-2-17(12-29)26-22(30)15-5-8-18-20(10-15)25-13-24-18/h3-8,10-11,13,17H,1-2,9,12H2,(H,24,25)(H,26,30)(H,27,28)
InChIKeyOWZMVDHSJHUDMC-UHFFFAOYSA-N
XLogP3.49
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide (CID 91887901) is N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide is O=C(NC1CCCN(c2cc(-c3ccc(F)cc3)[nH]n2)C1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is OWZMVDHSJHUDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-16-6-3-14(4-7-16)19-11-21(28-27-19)29-9-1-2-17(12-29)26-22(30)15-5-8-18-20(10-15)25-13-24-18/h3-8,10-11,13,17H,1-2,9,12H2,(H,24,25)(H,26,30)(H,27,28).
What are the key properties of N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide?
N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 91887901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).