4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C23H18BrCl2N3O — CID 16977457

IUPAC4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C23H18BrCl2N3O/c24-16-10-8-15(9-11-16)23(30)27-13-12-22-28-20-6-1-2-7-21(20)29(22)14-17-18(25)4-3-5-19(17)26/h1-11H,12-14H2,(H,27,30)
InChIKeyDEXTYETUIOSLPH-UHFFFAOYSA-N
MW503.23 g/mol
LogP6.13
Rot. Bonds6

About 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977457) has the molecular formula C23H18BrCl2N3O and a molecular weight of 503.23 g/mol. Its IUPAC name is 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977457
Molecular FormulaC23H18BrCl2N3O
Molecular Weight503.23 g/mol
Exact Mass501.00
IUPAC Name4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESO=C(NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C23H18BrCl2N3O/c24-16-10-8-15(9-11-16)23(30)27-13-12-22-28-20-6-1-2-7-21(20)29(22)14-17-18(25)4-3-5-19(17)26/h1-11H,12-14H2,(H,27,30)
InChIKeyDEXTYETUIOSLPH-UHFFFAOYSA-N
XLogP6.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.23
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974719
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977471
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-4-fluorobenzamide
CID 16991726
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977496
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977457) is 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is O=C(NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is DEXTYETUIOSLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrCl2N3O/c24-16-10-8-15(9-11-16)23(30)27-13-12-22-28-20-6-1-2-7-21(20)29(22)14-17-18(25)4-3-5-19(17)26/h1-11H,12-14H2,(H,27,30).
What are the key properties of 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 503.23 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).