N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide

C21H24N4O2 — CID 20946734

IUPACN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
SMILESCn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Cc3ccccc3)cc21
InChIInChI=1S/C21H24N4O2/c1-23-18-13-16(22-20(26)12-15-8-4-3-5-9-15)17(25-10-6-7-11-25)14-19(18)24(2)21(23)27/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,22,26)
InChIKeyBEZANICTCVEFDP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.66
Rot. Bonds4

About N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide

N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide (PubChem CID 20946734) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
PubChem CID20946734
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide
SMILESCn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Cc3ccccc3)cc21
InChIInChI=1S/C21H24N4O2/c1-23-18-13-16(22-20(26)12-15-8-4-3-5-9-15)17(25-10-6-7-11-25)14-19(18)24(2)21(23)27/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,22,26)
InChIKeyBEZANICTCVEFDP-UHFFFAOYSA-N
XLogP2.66
TPSA59.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide (CID 20946734) is N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide is Cn1c(=O)n(C)c2cc(N3CCCC3)c(NC(=O)Cc3ccccc3)cc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
The InChIKey is BEZANICTCVEFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-23-18-13-16(22-20(26)12-15-8-4-3-5-9-15)17(25-10-6-7-11-25)14-19(18)24(2)21(23)27/h3-5,8-9,13-14H,6-7,10-12H2,1-2H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide?
N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide has a molecular weight of 364.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 20946734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).