3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide

C21H22Cl3N3O — CID 83280152

IUPAC3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C21H22Cl3N3O/c1-13(2)12-25-21(28)7-8-27-19-11-17(24)16(23)10-18(19)26-20(27)9-14-5-3-4-6-15(14)22/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,25,28)
InChIKeyFZLDGKGYVOCHAF-UHFFFAOYSA-N
MW438.79 g/mol
LogP5.75
Rot. Bonds7

About 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide

3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide (PubChem CID 83280152) has the molecular formula C21H22Cl3N3O and a molecular weight of 438.79 g/mol. Its IUPAC name is 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
PubChem CID83280152
Molecular FormulaC21H22Cl3N3O
Molecular Weight438.79 g/mol
Exact Mass437.08
IUPAC Name3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C21H22Cl3N3O/c1-13(2)12-25-21(28)7-8-27-19-11-17(24)16(23)10-18(19)26-20(27)9-14-5-3-4-6-15(14)22/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,25,28)
InChIKeyFZLDGKGYVOCHAF-UHFFFAOYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.79
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 83289041
methyl 2-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 71813736
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-propylpropanamide
CID 42810560
3-(2-benzyl-5,6-dichlorobenzimidazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 83284107
3-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 83278616
3-[2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 42810164
(2S)-2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)butanamide
CID 97037004
3-[5,6-dichloro-2-[(3-methylphenyl)methyl]benzimidazol-1-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 83287101
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
4-[[2-[(2-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]methyl]-N-propan-2-ylbenzamide
CID 83287710
2-[5,6-dichloro-2-[(2-fluorophenyl)methyl]benzimidazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 83282235
3-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-methylpropanamide
CID 66110041

Frequently Asked Questions

What is the IUPAC name of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide (CID 83280152) is 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCn1c(Cc2ccccc2Cl)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide?
The InChIKey is FZLDGKGYVOCHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl3N3O/c1-13(2)12-25-21(28)7-8-27-19-11-17(24)16(23)10-18(19)26-20(27)9-14-5-3-4-6-15(14)22/h3-6,10-11,13H,7-9,12H2,1-2H3,(H,25,28).
What are the key properties of 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide?
3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide has a molecular weight of 438.79 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,6-dichloro-2-[(2-chlorophenyl)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 83280152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).