N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide

C25H24N4O3 — CID 46228665

IUPACN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C25H24N4O3/c30-24(17-7-4-9-19(15-17)29-13-2-1-3-14-29)26-18-8-5-10-20(16-18)32-22-12-6-11-21-23(22)28-25(31)27-21/h4-12,15-16H,1-3,13-14H2,(H,26,30)(H2,27,28,31)
InChIKeyIINMZJCJAROZSI-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.89
Rot. Bonds5

About N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide

N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide (PubChem CID 46228665) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide
PubChem CID46228665
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide
SMILESO=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C25H24N4O3/c30-24(17-7-4-9-19(15-17)29-13-2-1-3-14-29)26-18-8-5-10-20(16-18)32-22-12-6-11-21-23(22)28-25(31)27-21/h4-12,15-16H,1-3,13-14H2,(H,26,30)(H2,27,28,31)
InChIKeyIINMZJCJAROZSI-UHFFFAOYSA-N
XLogP4.89
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide?
The IUPAC name of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide (CID 46228665) is N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide is O=C(Nc1cccc(Oc2cccc3[nH]c(=O)[nH]c23)c1)c1cccc(N2CCCCC2)c1.
What is the InChIKey of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide?
The InChIKey is IINMZJCJAROZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-24(17-7-4-9-19(15-17)29-13-2-1-3-14-29)26-18-8-5-10-20(16-18)32-22-12-6-11-21-23(22)28-25(31)27-21/h4-12,15-16H,1-3,13-14H2,(H,26,30)(H2,27,28,31).
What are the key properties of N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide?
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 4.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-piperidin-1-ylbenzamide is sourced from PubChem (CID 46228665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).