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

C25H23N3O3 — CID 6037043

IUPACN-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide
SMILESCOc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-16-8-11-18(12-9-16)25(29)28-21(24-26-19-6-4-5-7-20(19)27-24)14-17-10-13-22(30-2)23(15-17)31-3/h4-15H,1-3H3,(H,26,27)(H,28,29)/b21-14+
InChIKeyUEWINEDVMXEBBS-KGENOOAVSA-N
MW413.48 g/mol
LogP4.82
Rot. Bonds6

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

N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide (PubChem CID 6037043) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide
PubChem CID6037043
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide
SMILESCOc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C25H23N3O3/c1-16-8-11-18(12-9-16)25(29)28-21(24-26-19-6-4-5-7-20(19)27-24)14-17-10-13-22(30-2)23(15-17)31-3/h4-15H,1-3H3,(H,26,27)(H,28,29)/b21-14+
InChIKeyUEWINEDVMXEBBS-KGENOOAVSA-N
XLogP4.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3'-Methoxyphenyl) Benzimidazole-4-Carboxamide
CID 1511
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
Sant-2
CID 1367095
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
3-(1H-Benzoimidazol-2-yl)-8-methoxy-chromen-2-one
CID 791051
N-(1H-benzimidazol-2-yl)-2-methoxybenzamide
CID 854418
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2032313
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 9953922
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
2-Propen-1-one, 1-(1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)-
CID 5469980
(E)-N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-3-(2,5-dimethoxy-phenyl)-acrylamide
CID 1181186

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide?
The IUPAC name of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide (CID 6037043) is N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide.
What is the SMILES notation for N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide?
The canonical SMILES for N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide is COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide?
The InChIKey is UEWINEDVMXEBBS-KGENOOAVSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-8-11-18(12-9-16)25(29)28-21(24-26-19-6-4-5-7-20(19)27-24)14-17-10-13-22(30-2)23(15-17)31-3/h4-15H,1-3H3,(H,26,27)(H,28,29)/b21-14+.
What are the key properties of N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide?
N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide has a molecular weight of 413.48 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1H-benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)ethenyl]-4-methylbenzamide is sourced from PubChem (CID 6037043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).