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

C18H18BrN3O2 — CID 17009267

IUPAC4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOCCn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O2/c1-24-11-10-22-16-5-3-2-4-15(16)21-17(22)12-20-18(23)13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyFQPNXLZNCSNCBP-UHFFFAOYSA-N
MW388.27 g/mol
LogP3.38
Rot. Bonds6

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

4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009267) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17009267
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC Name4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOCCn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C18H18BrN3O2/c1-24-11-10-22-16-5-3-2-4-15(16)21-17(22)12-20-18(23)13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,23)
InChIKeyFQPNXLZNCSNCBP-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009198
4-bromo-N-[[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009197
4-bromo-N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009252
4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009200
4-bromo-N-[[1-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009190
4-bromo-N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009209
4-bromo-N-[[1-(2-methylprop-2-enyl)benzimidazol-2-yl]methyl]benzamide
CID 17009142
4-bromo-N-[[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17009240
4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226
N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]butanamide
CID 16968967
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide (CID 17009267) is 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide is COCCn1c(CNC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is FQPNXLZNCSNCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-24-11-10-22-16-5-3-2-4-15(16)21-17(22)12-20-18(23)13-6-8-14(19)9-7-13/h2-9H,10-12H2,1H3,(H,20,23).
What are the key properties of 4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide?
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 388.27 g/mol, XLogP of 3.38, 6 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-methoxyethyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).