3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C22H16BrCl2N3O — CID 17008080

IUPAC3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C22H16BrCl2N3O/c23-16-5-3-4-14(10-16)22(29)26-12-21-27-19-6-1-2-7-20(19)28(21)13-15-8-9-17(24)11-18(15)25/h1-11H,12-13H2,(H,26,29)
InChIKeyFNXGIXQYDBCVCU-UHFFFAOYSA-N
MW489.20 g/mol
LogP6.08
Rot. Bonds5

About 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide

3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008080) has the molecular formula C22H16BrCl2N3O and a molecular weight of 489.20 g/mol. Its IUPAC name is 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008080
Molecular FormulaC22H16BrCl2N3O
Molecular Weight489.20 g/mol
Exact Mass486.99
IUPAC Name3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccc(Br)c1
InChIInChI=1S/C22H16BrCl2N3O/c23-16-5-3-4-14(10-16)22(29)26-12-21-27-19-6-1-2-7-20(19)28(21)13-15-8-9-17(24)11-18(15)25/h1-11H,12-13H2,(H,26,29)
InChIKeyFNXGIXQYDBCVCU-UHFFFAOYSA-N
XLogP6.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.20
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008077
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973752
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17008080) is 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is FNXGIXQYDBCVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrCl2N3O/c23-16-5-3-4-14(10-16)22(29)26-12-21-27-19-6-1-2-7-20(19)28(21)13-15-8-9-17(24)11-18(15)25/h1-11H,12-13H2,(H,26,29).
What are the key properties of 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 489.20 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).