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

C18H24ClN5O2 — CID 97191799

IUPAC(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)CC1=O
InChIInChI=1S/C18H24ClN5O2/c1-23(2)7-8-24-11-12(9-17(24)25)18(26)20-6-5-16-21-14-4-3-13(19)10-15(14)22-16/h3-4,10,12H,5-9,11H2,1-2H3,(H,20,26)(H,21,22)/t12-/m1/s1
InChIKeyOSGRHZXAMLQZQD-GFCCVEGCSA-N
MW377.88 g/mol
LogP1.29
Rot. Bonds7

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

(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97191799) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97191799
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCN1C[C@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)CC1=O
InChIInChI=1S/C18H24ClN5O2/c1-23(2)7-8-24-11-12(9-17(24)25)18(26)20-6-5-16-21-14-4-3-13(19)10-15(14)22-16/h3-4,10,12H,5-9,11H2,1-2H3,(H,20,26)(H,21,22)/t12-/m1/s1
InChIKeyOSGRHZXAMLQZQD-GFCCVEGCSA-N
XLogP1.29
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-1-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97125067
(3R)-N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]-5-oxo-1-prop-2-enylpyrrolidine-3-carboxamide
CID 125177887
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
1-[2-(2,4-dichlorophenyl)ethyl]-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113185893
(3S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 94068245
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 70768987
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97145314
(3S)-1-[2-(dimethylamino)ethyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 96568281
(3S)-N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97208382
2-(6-chloro-1H-benzimidazol-2-yl)-N,N-dimethylethanamine
CID 64725128
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 131945376

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 97191799) is (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is CN(C)CCN1C[C@H](C(=O)NCCc2nc3ccc(Cl)cc3[nH]2)CC1=O.
What is the InChIKey of (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OSGRHZXAMLQZQD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H24ClN5O2/c1-23(2)7-8-24-11-12(9-17(24)25)18(26)20-6-5-16-21-14-4-3-13(19)10-15(14)22-16/h3-4,10,12H,5-9,11H2,1-2H3,(H,20,26)(H,21,22)/t12-/m1/s1.
What are the key properties of (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97191799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).