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

C23H19BrClN3O2 — CID 17009200

IUPAC4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C23H19BrClN3O2/c24-17-11-9-16(10-12-17)23(29)26-15-22-27-19-6-2-3-7-20(19)28(22)13-14-30-21-8-4-1-5-18(21)25/h1-12H,13-15H2,(H,26,29)
InChIKeyOGIIQZHCLQUKGG-UHFFFAOYSA-N
MW484.78 g/mol
LogP5.46
Rot. Bonds7

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

4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17009200) has the molecular formula C23H19BrClN3O2 and a molecular weight of 484.78 g/mol. Its IUPAC name is 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17009200
Molecular FormulaC23H19BrClN3O2
Molecular Weight484.78 g/mol
Exact Mass483.03
IUPAC Name4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C23H19BrClN3O2/c24-17-11-9-16(10-12-17)23(29)26-15-22-27-19-6-2-3-7-20(19)28(22)13-14-30-21-8-4-1-5-18(21)25/h1-12H,13-15H2,(H,26,29)
InChIKeyOGIIQZHCLQUKGG-UHFFFAOYSA-N
XLogP5.46
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.78
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009226
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-[2-(2,3-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009190
4-bromo-N-[[1-(2-methoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17009267
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965641
4-bromo-N-[[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009252
4-bromo-N-[[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17009240
4-bromo-N-[5-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991623
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17006243
4-bromo-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009251
N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]-2-(4-phenylphenyl)acetamide
CID 16971451

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide (CID 17009200) is 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is OGIIQZHCLQUKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrClN3O2/c24-17-11-9-16(10-12-17)23(29)26-15-22-27-19-6-2-3-7-20(19)28(22)13-14-30-21-8-4-1-5-18(21)25/h1-12H,13-15H2,(H,26,29).
What are the key properties of 4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide?
4-bromo-N-[[1-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 484.78 g/mol, XLogP of 5.46, 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-(2-chlorophenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17009200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).