3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one

C20H24N4O3 — CID 70774499

IUPAC3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)N1CC(C(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)CC1=O
InChIInChI=1S/C20H24N4O3/c1-13(2)23-12-14(11-18(23)25)19(26)22-9-7-15(8-10-22)24-17-6-4-3-5-16(17)21-20(24)27/h3-7,13-14H,8-12H2,1-2H3,(H,21,27)
InChIKeyUYKGIQIGJVFQNG-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.66
Rot. Bonds3

About 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one

3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one (PubChem CID 70774499) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
PubChem CID70774499
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
SMILESCC(C)N1CC(C(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)CC1=O
InChIInChI=1S/C20H24N4O3/c1-13(2)23-12-14(11-18(23)25)19(26)22-9-7-15(8-10-22)24-17-6-4-3-5-16(17)21-20(24)27/h3-7,13-14H,8-12H2,1-2H3,(H,21,27)
InChIKeyUYKGIQIGJVFQNG-UHFFFAOYSA-N
XLogP1.66
TPSA78.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one (CID 70774499) is 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one is CC(C)N1CC(C(=O)N2CC=C(n3c(=O)[nH]c4ccccc43)CC2)CC1=O.
What is the InChIKey of 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is UYKGIQIGJVFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13(2)23-12-14(11-18(23)25)19(26)22-9-7-15(8-10-22)24-17-6-4-3-5-16(17)21-20(24)27/h3-7,13-14H,8-12H2,1-2H3,(H,21,27).
What are the key properties of 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one?
3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 368.44 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 70774499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).