3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide

C22H23BrN4O3 — CID 16977877

IUPAC3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C22H23BrN4O3/c23-17-5-3-4-16(14-17)22(29)24-9-8-20-25-18-6-1-2-7-19(18)27(20)15-21(28)26-10-12-30-13-11-26/h1-7,14H,8-13,15H2,(H,24,29)
InChIKeyNUSGOHYVHUZQET-UHFFFAOYSA-N
MW471.36 g/mol
LogP2.63
Rot. Bonds6

About 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide

3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977877) has the molecular formula C22H23BrN4O3 and a molecular weight of 471.36 g/mol. Its IUPAC name is 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977877
Molecular FormulaC22H23BrN4O3
Molecular Weight471.36 g/mol
Exact Mass470.10
IUPAC Name3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1
InChIInChI=1S/C22H23BrN4O3/c23-17-5-3-4-16(14-17)22(29)24-9-8-20-25-18-6-1-2-7-19(18)27(20)15-21(28)26-10-12-30-13-11-26/h1-7,14H,8-13,15H2,(H,24,29)
InChIKeyNUSGOHYVHUZQET-UHFFFAOYSA-N
XLogP2.63
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977875
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982324
3-methoxy-N-[3-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983766
N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979049
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008033
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758
3-bromo-N-[5-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990712
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
N-[3-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]-3-chlorobenzamide
CID 16983601

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16977877) is 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1CC(=O)N1CCOCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NUSGOHYVHUZQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O3/c23-17-5-3-4-16(14-17)22(29)24-9-8-20-25-18-6-1-2-7-19(18)27(20)15-21(28)26-10-12-30-13-11-26/h1-7,14H,8-13,15H2,(H,24,29).
What are the key properties of 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 471.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).