2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole

C23H20N2O2 — CID 154048615

IUPAC2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(C=Cc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC
InChIInChI=1S/C23H20N2O2/c1-26-21-13-12-17(15-22(21)27-2)11-10-16-6-5-7-18(14-16)23-24-19-8-3-4-9-20(19)25-23/h3-15H,1-2H3,(H,24,25)
InChIKeyMPTOHCRNMWCLKM-UHFFFAOYSA-N
MW356.43 g/mol
LogP5.42
Rot. Bonds5

About 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole

2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole (PubChem CID 154048615) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
PubChem CID154048615
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(C=Cc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC
InChIInChI=1S/C23H20N2O2/c1-26-21-13-12-17(15-22(21)27-2)11-10-16-6-5-7-18(14-16)23-24-19-8-3-4-9-20(19)25-23/h3-15H,1-2H3,(H,24,25)
InChIKeyMPTOHCRNMWCLKM-UHFFFAOYSA-N
XLogP5.42
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2,3-bis[(E)-2-(3,4-dimethoxyphenyl)ethenyl]quinoxaline
CID 5475836
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxy-1,3-benzothiazol-2-amine
CID 43968329
3-[2-(3-fluoro-4-methoxyphenyl)ethenyl]-1H-quinoxalin-2-one
CID 91938214
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
2-[(E)-2-(3-methoxy-4-prop-2-ynoxyphenyl)ethenyl]-1H-benzimidazole
CID 134468873
2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole
CID 118867901
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole (CID 154048615) is 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole is COc1ccc(C=Cc2cccc(-c3nc4ccccc4[nH]3)c2)cc1OC.
What is the InChIKey of 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole?
The InChIKey is MPTOHCRNMWCLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-26-21-13-12-17(15-22(21)27-2)11-10-16-6-5-7-18(14-16)23-24-19-8-3-4-9-20(19)25-23/h3-15H,1-2H3,(H,24,25).
What are the key properties of 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole?
2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole has a molecular weight of 356.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 154048615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).