N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C19H26N4O3 — CID 72877164

IUPACN,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(CC)CCc2nc3ccc(OC)cc3[nH]2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-4-22(19(25)13-10-18(24)23(5-2)12-13)9-8-17-20-15-7-6-14(26-3)11-16(15)21-17/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,20,21)
InChIKeyBDWWOZNMSVVHAW-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.83
Rot. Bonds7

About N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 72877164) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID72877164
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)N(CC)CCc2nc3ccc(OC)cc3[nH]2)CC1=O
InChIInChI=1S/C19H26N4O3/c1-4-22(19(25)13-10-18(24)23(5-2)12-13)9-8-17-20-15-7-6-14(26-3)11-16(15)21-17/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,20,21)
InChIKeyBDWWOZNMSVVHAW-UHFFFAOYSA-N
XLogP1.83
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 77078996
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
CID 163334571
(3S)-1-(cyclohexylmethyl)-N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 42098252
1-[2-(dimethylamino)ethyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 50965938
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076
(3R)-N,1-diethyl-5-oxo-N-(2-pyrazol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97120937
1-[2-(3-methoxyphenyl)ethyl]-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113184536
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97145314
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97191799

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 72877164) is N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)N(CC)CCc2nc3ccc(OC)cc3[nH]2)CC1=O.
What is the InChIKey of N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BDWWOZNMSVVHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-4-22(19(25)13-10-18(24)23(5-2)12-13)9-8-17-20-15-7-6-14(26-3)11-16(15)21-17/h6-7,11,13H,4-5,8-10,12H2,1-3H3,(H,20,21).
What are the key properties of N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72877164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).