N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide

C24H20ClN3O3 — CID 6264652

IUPACN-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
SMILESCOc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1OC
InChIInChI=1S/C24H20ClN3O3/c1-30-21-11-8-15(13-22(21)31-2)12-20(28-24(29)16-6-4-3-5-7-16)23-26-18-10-9-17(25)14-19(18)27-23/h3-14H,1-2H3,(H,26,27)(H,28,29)/b20-12+
InChIKeyHRSXSWWHSPEDHY-UDWIEESQSA-N
MW433.90 g/mol
LogP5.16
Rot. Bonds6

About N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide

N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide (PubChem CID 6264652) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
PubChem CID6264652
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide
SMILESCOc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1OC
InChIInChI=1S/C24H20ClN3O3/c1-30-21-11-8-15(13-22(21)31-2)12-20(28-24(29)16-6-4-3-5-7-16)23-26-18-10-9-17(25)14-19(18)27-23/h3-14H,1-2H3,(H,26,27)(H,28,29)/b20-12+
InChIKeyHRSXSWWHSPEDHY-UDWIEESQSA-N
XLogP5.16
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.90
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide?
The IUPAC name of N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide (CID 6264652) is N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide.
What is the SMILES notation for N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide?
The canonical SMILES for N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide is COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc(Cl)cc3[nH]2)cc1OC.
What is the InChIKey of N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide?
The InChIKey is HRSXSWWHSPEDHY-UDWIEESQSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-30-21-11-8-15(13-22(21)31-2)12-20(28-24(29)16-6-4-3-5-7-16)23-26-18-10-9-17(25)14-19(18)27-23/h3-14H,1-2H3,(H,26,27)(H,28,29)/b20-12+.
What are the key properties of N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide?
N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide has a molecular weight of 433.90 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]benzamide is sourced from PubChem (CID 6264652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).