1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C18H24FN5O2 — CID 50965938

IUPAC1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)CC1=O
InChIInChI=1S/C18H24FN5O2/c1-22(2)6-7-24-10-12(8-17(24)25)18(26)23(3)11-16-20-14-5-4-13(19)9-15(14)21-16/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,20,21)
InChIKeyMHEJUBWAWDOFNH-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.07
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 50965938) has the molecular formula C18H24FN5O2 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID50965938
Molecular FormulaC18H24FN5O2
Molecular Weight361.42 g/mol
Exact Mass361.19
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1CC(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)CC1=O
InChIInChI=1S/C18H24FN5O2/c1-22(2)6-7-24-10-12(8-17(24)25)18(26)23(3)11-16-20-14-5-4-13(19)9-15(14)21-16/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,20,21)
InChIKeyMHEJUBWAWDOFNH-UHFFFAOYSA-N
XLogP1.07
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97191799
(3S)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-(quinolin-6-ylmethyl)pyrrolidine-3-carboxamide
CID 97194025
N-(1H-benzimidazol-2-ylmethyl)-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55683049
(3R)-1-[2-(dimethylamino)ethyl]-N-[(5-fluoro-1H-indol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97198038
2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 45174442
(4R)-N-(1H-benzimidazol-2-ylmethyl)-N,1-dimethyl-2-oxopiperidine-4-carboxamide
CID 94037007
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 70784686
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-N-methyl-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 95204074
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 125446054
5-[[(6-fluoro-1H-benzimidazol-2-yl)methyl-methylamino]methyl]-1-methylpiperidin-2-one
CID 138384460
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137094516
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 50965938) is 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1CC(C(=O)N(C)Cc2nc3ccc(F)cc3[nH]2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MHEJUBWAWDOFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN5O2/c1-22(2)6-7-24-10-12(8-17(24)25)18(26)23(3)11-16-20-14-5-4-13(19)9-15(14)21-16/h4-5,9,12H,6-8,10-11H2,1-3H3,(H,20,21).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50965938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).