3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide

C17H16BrN3O3 — CID 110610885

IUPAC3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1Br
InChIInChI=1S/C17H16BrN3O3/c1-24-15-7-6-11(10-12(15)18)16(22)19-8-9-21-14-5-3-2-4-13(14)20-17(21)23/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyDZNPQQKJYNWGOQ-UHFFFAOYSA-N
MW390.24 g/mol
LogP2.53
Rot. Bonds5

About 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide

3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (PubChem CID 110610885) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
PubChem CID110610885
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC Name3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1Br
InChIInChI=1S/C17H16BrN3O3/c1-24-15-7-6-11(10-12(15)18)16(22)19-8-9-21-14-5-3-2-4-13(14)20-17(21)23/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyDZNPQQKJYNWGOQ-UHFFFAOYSA-N
XLogP2.53
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400726
3,4,5-trimethoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419706
3-methoxy-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419698
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
CID 110610908
4-(dimethylsulfamoyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide
CID 110400751
3-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-4-methoxybenzamide
CID 60857890
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110417561
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
N-[3-(benzimidazol-1-yl)propyl]-3-bromo-4-methoxybenzamide
CID 40718918
4-chloro-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]benzamide
CID 110419732

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide (CID 110610885) is 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is COc1ccc(C(=O)NCCn2c(=O)[nH]c3ccccc32)cc1Br.
What is the InChIKey of 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
The InChIKey is DZNPQQKJYNWGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-24-15-7-6-11(10-12(15)18)16(22)19-8-9-21-14-5-3-2-4-13(14)20-17(21)23/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide?
3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide has a molecular weight of 390.24 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 110610885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).