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

C23H28N4O2 — CID 24789796

IUPACN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3C)cc21
InChIInChI=1S/C23H28N4O2/c1-4-26-20-14-18(24-22(28)17-11-7-6-10-16(17)3)19(25-12-8-9-13-25)15-21(20)27(5-2)23(26)29/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,24,28)
InChIKeyYVOJOOZMTAHUKX-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.00
Rot. Bonds5

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

N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide (PubChem CID 24789796) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide
PubChem CID24789796
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide
SMILESCCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3C)cc21
InChIInChI=1S/C23H28N4O2/c1-4-26-20-14-18(24-22(28)17-11-7-6-10-16(17)3)19(25-12-8-9-13-25)15-21(20)27(5-2)23(26)29/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,24,28)
InChIKeyYVOJOOZMTAHUKX-UHFFFAOYSA-N
XLogP4.00
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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)-2-methylbenzamide?
The IUPAC name of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide (CID 24789796) is N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide is CCn1c(=O)n(CC)c2cc(N3CCCC3)c(NC(=O)c3ccccc3C)cc21.
What is the InChIKey of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide?
The InChIKey is YVOJOOZMTAHUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-4-26-20-14-18(24-22(28)17-11-7-6-10-16(17)3)19(25-12-8-9-13-25)15-21(20)27(5-2)23(26)29/h6-7,10-11,14-15H,4-5,8-9,12-13H2,1-3H3,(H,24,28).
What are the key properties of N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide?
N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 24789796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).