3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

C23H28BrN5O — CID 17236159

IUPAC3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCN1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2CC)CC1
InChIInChI=1S/C23H28BrN5O/c1-3-27-10-12-28(13-11-27)16-22-26-20-15-19(8-9-21(20)29(22)4-2)25-23(30)17-6-5-7-18(24)14-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,25,30)
InChIKeySYJUGJLSYJRKQF-UHFFFAOYSA-N
MW470.42 g/mol
LogP4.21
Rot. Bonds6

About 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide

3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (PubChem CID 17236159) has the molecular formula C23H28BrN5O and a molecular weight of 470.42 g/mol. Its IUPAC name is 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
PubChem CID17236159
Molecular FormulaC23H28BrN5O
Molecular Weight470.42 g/mol
Exact Mass469.15
IUPAC Name3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
SMILESCCN1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2CC)CC1
InChIInChI=1S/C23H28BrN5O/c1-3-27-10-12-28(13-11-27)16-22-26-20-15-19(8-9-21(20)29(22)4-2)25-23(30)17-6-5-7-18(24)14-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,25,30)
InChIKeySYJUGJLSYJRKQF-UHFFFAOYSA-N
XLogP4.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.42
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-3-methylbenzamide
CID 46263370
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]-3-nitrobenzamide
CID 17236129
4-tert-butyl-N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide
CID 17236238
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]acetamide
CID 17235989
N-[1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]thiophene-2-carboxamide
CID 17236134
N-[2-[(4-ethylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-4-methoxybenzamide
CID 46263374
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 23612865
3-bromo-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 46364134
N-[2-[(4-acetylpiperazin-1-yl)methyl]-1-ethylbenzimidazol-5-yl]-3-methylbutanamide
CID 17235994
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
1-ethyl-N,N-dimethyl-2-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzimidazole-5-carboxamide
CID 50823978

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The IUPAC name of 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide (CID 17236159) is 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The canonical SMILES for 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is CCN1CCN(Cc2nc3cc(NC(=O)c4cccc(Br)c4)ccc3n2CC)CC1.
What is the InChIKey of 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
The InChIKey is SYJUGJLSYJRKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrN5O/c1-3-27-10-12-28(13-11-27)16-22-26-20-15-19(8-9-21(20)29(22)4-2)25-23(30)17-6-5-7-18(24)14-17/h5-9,14-15H,3-4,10-13,16H2,1-2H3,(H,25,30).
What are the key properties of 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide?
3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide has a molecular weight of 470.42 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]benzamide is sourced from PubChem (CID 17236159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).