4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

C25H23BrN4O2 — CID 17009275

IUPAC4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCCN(C(=O)Cn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H23BrN4O2/c1-2-29(20-8-4-3-5-9-20)24(31)17-30-22-11-7-6-10-21(22)28-23(30)16-27-25(32)18-12-14-19(26)15-13-18/h3-15H,2,16-17H2,1H3,(H,27,32)
InChIKeyQVBRIWLNHAOAGD-UHFFFAOYSA-N
MW491.39 g/mol
LogP4.78
Rot. Bonds7

About 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide

4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009275) has the molecular formula C25H23BrN4O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17009275
Molecular FormulaC25H23BrN4O2
Molecular Weight491.39 g/mol
Exact Mass490.10
IUPAC Name4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
SMILESCCN(C(=O)Cn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C25H23BrN4O2/c1-2-29(20-8-4-3-5-9-20)24(31)17-30-22-11-7-6-10-21(22)28-23(30)16-27-25(32)18-12-14-19(26)15-13-18/h3-15H,2,16-17H2,1H3,(H,27,32)
InChIKeyQVBRIWLNHAOAGD-UHFFFAOYSA-N
XLogP4.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
N-ethyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17006635
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
N-[3-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984221
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974115
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
4-bromo-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009197

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide (CID 17009275) is 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is CCN(C(=O)Cn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21)c1ccccc1.
What is the InChIKey of 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is QVBRIWLNHAOAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23BrN4O2/c1-2-29(20-8-4-3-5-9-20)24(31)17-30-22-11-7-6-10-21(22)28-23(30)16-27-25(32)18-12-14-19(26)15-13-18/h3-15H,2,16-17H2,1H3,(H,27,32).
What are the key properties of 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide?
4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 491.39 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).