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

C23H18Cl3N3O — CID 17009483

IUPAC4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl3N3O/c1-14(27-23(30)15-9-11-16(24)12-10-15)22-28-20-7-2-3-8-21(20)29(22)13-17-18(25)5-4-6-19(17)26/h2-12,14H,13H2,1H3,(H,27,30)
InChIKeyCHWBBVBVJSDNDO-UHFFFAOYSA-N
MW458.78 g/mol
LogP6.54
Rot. Bonds5

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

4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009483) has the molecular formula C23H18Cl3N3O and a molecular weight of 458.78 g/mol. Its IUPAC name is 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009483
Molecular FormulaC23H18Cl3N3O
Molecular Weight458.78 g/mol
Exact Mass457.05
IUPAC Name4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C23H18Cl3N3O/c1-14(27-23(30)15-9-11-16(24)12-10-15)22-28-20-7-2-3-8-21(20)29(22)13-17-18(25)5-4-6-19(17)26/h2-12,14H,13H2,1H3,(H,27,30)
InChIKeyCHWBBVBVJSDNDO-UHFFFAOYSA-N
XLogP6.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.78
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491
4-chloro-N-[1-(1-propylbenzimidazol-2-yl)ethyl]benzamide
CID 17009463
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967032
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970127
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17009483) is 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is CHWBBVBVJSDNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl3N3O/c1-14(27-23(30)15-9-11-16(24)12-10-15)22-28-20-7-2-3-8-21(20)29(22)13-17-18(25)5-4-6-19(17)26/h2-12,14H,13H2,1H3,(H,27,30).
What are the key properties of 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 458.78 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).