N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

C17H24N4O2 — CID 77078996

IUPACN-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)C1CCNC1
InChIInChI=1S/C17H24N4O2/c1-3-21(17(22)12-6-8-18-11-12)9-7-16-19-14-5-4-13(23-2)10-15(14)20-16/h4-5,10,12,18H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyXRDVZMXEAPZERQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.57
Rot. Bonds6

About N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 77078996) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID77078996
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)C1CCNC1
InChIInChI=1S/C17H24N4O2/c1-3-21(17(22)12-6-8-18-11-12)9-7-16-19-14-5-4-13(23-2)10-15(14)20-16/h4-5,10,12,18H,3,6-9,11H2,1-2H3,(H,19,20)
InChIKeyXRDVZMXEAPZERQ-UHFFFAOYSA-N
XLogP1.57
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-diethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 72877164
(2R)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125172872
1-cyclopropyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 70728714
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119770885
(1S,3R,4R)-3-amino-N-ethyl-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclopentane-1-carboxamide;dihydrochloride
CID 163334571
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872570
6-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazole
CID 82335981
N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 119709145
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
2-(3,5-dimethylpyrazol-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-N-methylpropanamide
CID 90649076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 77078996) is N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CCN(CCc1nc2ccc(OC)cc2[nH]1)C(=O)C1CCNC1.
What is the InChIKey of N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is XRDVZMXEAPZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-21(17(22)12-6-8-18-11-12)9-7-16-19-14-5-4-13(23-2)10-15(14)20-16/h4-5,10,12,18H,3,6-9,11H2,1-2H3,(H,19,20).
What are the key properties of N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 77078996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).