N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide

C23H27N5O2 — CID 131897591

IUPACN-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H27N5O2/c29-22(16-6-8-17(9-7-16)27-10-2-1-3-11-27)24-20-14-18-19(26-23(30)25-18)15-21(20)28-12-4-5-13-28/h6-9,14-15H,1-5,10-13H2,(H,24,29)(H2,25,26,30)
InChIKeyODPAMLSLCBGFJU-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.70
Rot. Bonds4

About N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide

N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide (PubChem CID 131897591) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
PubChem CID131897591
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide
SMILESO=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H27N5O2/c29-22(16-6-8-17(9-7-16)27-10-2-1-3-11-27)24-20-14-18-19(26-23(30)25-18)15-21(20)28-12-4-5-13-28/h6-9,14-15H,1-5,10-13H2,(H,24,29)(H2,25,26,30)
InChIKeyODPAMLSLCBGFJU-UHFFFAOYSA-N
XLogP3.70
TPSA84.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide?
The IUPAC name of N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide (CID 131897591) is N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide is O=C(Nc1cc2[nH]c(=O)[nH]c2cc1N1CCCC1)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide?
The InChIKey is ODPAMLSLCBGFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22(16-6-8-17(9-7-16)27-10-2-1-3-11-27)24-20-14-18-19(26-23(30)25-18)15-21(20)28-12-4-5-13-28/h6-9,14-15H,1-5,10-13H2,(H,24,29)(H2,25,26,30).
What are the key properties of N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide?
N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide has a molecular weight of 405.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-6-pyrrolidin-1-yl-1,3-dihydrobenzimidazol-5-yl)-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 131897591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).