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

C26H25BrN4O2 — CID 16977868

IUPAC3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCN(C(=O)Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C26H25BrN4O2/c1-2-30(21-11-4-3-5-12-21)25(32)18-31-23-14-7-6-13-22(23)29-24(31)15-16-28-26(33)19-9-8-10-20(27)17-19/h3-14,17H,2,15-16,18H2,1H3,(H,28,33)
InChIKeyIAEBJLFLRMLMHI-UHFFFAOYSA-N
MW505.42 g/mol
LogP4.82
Rot. Bonds8

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

3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977868) has the molecular formula C26H25BrN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977868
Molecular FormulaC26H25BrN4O2
Molecular Weight505.42 g/mol
Exact Mass504.12
IUPAC Name3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCN(C(=O)Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C26H25BrN4O2/c1-2-30(21-11-4-3-5-12-21)25(32)18-31-23-14-7-6-13-22(23)29-24(31)15-16-28-26(33)19-9-8-10-20(27)17-19/h3-14,17H,2,15-16,18H2,1H3,(H,28,33)
InChIKeyIAEBJLFLRMLMHI-UHFFFAOYSA-N
XLogP4.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.42
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009275
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
3-bromo-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977875
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978024
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3-bromobenzamide
CID 16983452
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
3-bromo-N-[2-[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977877
2-chloro-N-[5-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989890

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977868) is 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CCN(C(=O)Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is IAEBJLFLRMLMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN4O2/c1-2-30(21-11-4-3-5-12-21)25(32)18-31-23-14-7-6-13-22(23)29-24(31)15-16-28-26(33)19-9-8-10-20(27)17-19/h3-14,17H,2,15-16,18H2,1H3,(H,28,33).
What are the key properties of 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 505.42 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).