N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide

C23H28N4O3 — CID 24789839

IUPACN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3cccc(OC)c3)cc21
InChIInChI=1S/C23H28N4O3/c1-4-26-20-14-18(24-22(28)16-9-8-10-17(13-16)30-3)19(25-11-6-7-12-25)15-21(20)27(5-2)23(26)29/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,28)
InChIKeyXCFKZHVGZQVDGK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.70
Rot. Bonds6

About N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide

N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide (PubChem CID 24789839) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
PubChem CID24789839
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3cccc(OC)c3)cc21
InChIInChI=1S/C23H28N4O3/c1-4-26-20-14-18(24-22(28)16-9-8-10-17(13-16)30-3)19(25-11-6-7-12-25)15-21(20)27(5-2)23(26)29/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,28)
InChIKeyXCFKZHVGZQVDGK-UHFFFAOYSA-N
XLogP3.70
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide (CID 24789839) is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The canonical SMILES for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide is CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3cccc(OC)c3)cc21.
What is the InChIKey of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
The InChIKey is XCFKZHVGZQVDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-26-20-14-18(24-22(28)16-9-8-10-17(13-16)30-3)19(25-11-6-7-12-25)15-21(20)27(5-2)23(26)29/h8-10,13-15H,4-7,11-12H2,1-3H3,(H,24,28).
What are the key properties of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide?
N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide has a molecular weight of 408.50 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-3-methoxybenzamide is sourced from PubChem (CID 24789839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).