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

C23H19Cl2N3O — CID 40910160

IUPACN-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3O/c1-15(26-23(29)16-8-3-2-4-9-16)22-27-20-12-5-6-13-21(20)28(22)14-17-18(24)10-7-11-19(17)25/h2-13,15H,14H2,1H3,(H,26,29)/t15-/m0/s1
InChIKeyGGIUEWIUBMISMD-HNNXBMFYSA-N
MW424.33 g/mol
LogP5.88
Rot. Bonds5

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

N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 40910160) has the molecular formula C23H19Cl2N3O and a molecular weight of 424.33 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID40910160
Molecular FormulaC23H19Cl2N3O
Molecular Weight424.33 g/mol
Exact Mass423.09
IUPAC NameN-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C23H19Cl2N3O/c1-15(26-23(29)16-8-3-2-4-9-16)22-27-20-12-5-6-13-21(20)28(22)14-17-18(24)10-7-11-19(17)25/h2-13,15H,14H2,1H3,(H,26,29)/t15-/m0/s1
InChIKeyGGIUEWIUBMISMD-HNNXBMFYSA-N
XLogP5.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.33
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967031
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970127
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967032
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
4-chloro-N-[1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009491

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 40910160) is N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is GGIUEWIUBMISMD-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O/c1-15(26-23(29)16-8-3-2-4-9-16)22-27-20-12-5-6-13-21(20)28(22)14-17-18(24)10-7-11-19(17)25/h2-13,15H,14H2,1H3,(H,26,29)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 424.33 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 40910160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).