3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide

C17H17N3O3 — CID 110400726

IUPAC3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C17H17N3O3/c1-23-13-6-4-5-12(11-13)16(21)18-9-10-20-15-8-3-2-7-14(15)19-17(20)22/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyYZBRJAFFQBBTAX-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.77
Rot. Bonds5

About 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide

3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (PubChem CID 110400726) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
PubChem CID110400726
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C17H17N3O3/c1-23-13-6-4-5-12(11-13)16(21)18-9-10-20-15-8-3-2-7-14(15)19-17(20)22/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyYZBRJAFFQBBTAX-UHFFFAOYSA-N
XLogP1.77
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110610885
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400751
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
N-[2-(2,3-dioxo-4H-quinoxalin-1-yl)ethyl]-3-fluorobenzamide
CID 110396411
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
CID 110610908
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
3-chloro-N-[2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 113092241
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (CID 110400726) is 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is COc1cccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The InChIKey is YZBRJAFFQBBTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-23-13-6-4-5-12(11-13)16(21)18-9-10-20-15-8-3-2-7-14(15)19-17(20)22/h2-8,11H,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide has a molecular weight of 311.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110400726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).