N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

C19H26N4O2 — CID 15222651

IUPACN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCC23CCCN2CCC3)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14(2)22-15-7-3-4-8-16(15)23(18(22)25)17(24)20-13-19-9-5-11-21(19)12-6-10-19/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,20,24)
InChIKeyHZEYHFSJVIPBFF-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.57
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 15222651) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID15222651
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCC23CCCN2CCC3)c2ccccc21
InChIInChI=1S/C19H26N4O2/c1-14(2)22-15-7-3-4-8-16(15)23(18(22)25)17(24)20-13-19-9-5-11-21(19)12-6-10-19/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,20,24)
InChIKeyHZEYHFSJVIPBFF-UHFFFAOYSA-N
XLogP2.57
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 15222651) is N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is CC(C)n1c(=O)n(C(=O)NCC23CCCN2CCC3)c2ccccc21.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The InChIKey is HZEYHFSJVIPBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14(2)22-15-7-3-4-8-16(15)23(18(22)25)17(24)20-13-19-9-5-11-21(19)12-6-10-19/h3-4,7-8,14H,5-6,9-13H2,1-2H3,(H,20,24).
What are the key properties of N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 15222651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).