2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole

C24H22N2O — CID 40517498

IUPAC2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole
SMILESCOc1ccccc1/C=C/c1nc2ccccc2n1[C@@H](C)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-18(19-10-4-3-5-11-19)26-22-14-8-7-13-21(22)25-24(26)17-16-20-12-6-9-15-23(20)27-2/h3-18H,1-2H3/b17-16+/t18-/m0/s1
InChIKeyNJJMRZYIRZSBFW-GVJQPLCZSA-N
MW354.45 g/mol
LogP5.82
Rot. Bonds5

About 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole

2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole (PubChem CID 40517498) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole.

Molecular Properties

Compound Name2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole
PubChem CID40517498
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole
SMILESCOc1ccccc1/C=C/c1nc2ccccc2n1[C@@H](C)c1ccccc1
InChIInChI=1S/C24H22N2O/c1-18(19-10-4-3-5-11-19)26-22-14-8-7-13-21(22)25-24(26)17-16-20-12-6-9-15-23(20)27-2/h3-18H,1-2H3/b17-16+/t18-/m0/s1
InChIKeyNJJMRZYIRZSBFW-GVJQPLCZSA-N
XLogP5.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one
CID 43826344
2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
CID 3728738
2-[(2-methoxyphenoxy)methyl]-1-(1-phenylethyl)benzimidazole
CID 5088785
2-(2-phenylethenyl)-1-propan-2-ylbenzimidazole
CID 3787775
2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
CID 171151741
2-[(E)-2-(4-fluorophenyl)ethenyl]-1-propan-2-ylbenzimidazole
CID 5293130
2-(4-methoxyphenyl)-1-[(1S)-1-phenylethyl]benzimidazole
CID 881414
4-[(E)-2-[1-(difluoromethyl)benzimidazol-2-yl]ethenyl]-2,6-dimethoxyphenol
CID 136912886
2-(methoxymethyl)-1-[(1R)-1-phenylethyl]benzimidazole
CID 975484
1-(1-phenylethyl)-2-propan-2-ylbenzimidazole
CID 3623918
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methylquinoxalin-2-one
CID 7186381
2-ethyl-1-[(1R)-1-phenylethyl]benzimidazole
CID 962439

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole?
The IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole (CID 40517498) is 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole.
What is the SMILES notation for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole?
The canonical SMILES for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole is COc1ccccc1/C=C/c1nc2ccccc2n1[C@@H](C)c1ccccc1.
What is the InChIKey of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole?
The InChIKey is NJJMRZYIRZSBFW-GVJQPLCZSA-N. The full InChI is InChI=1S/C24H22N2O/c1-18(19-10-4-3-5-11-19)26-22-14-8-7-13-21(22)25-24(26)17-16-20-12-6-9-15-23(20)27-2/h3-18H,1-2H3/b17-16+/t18-/m0/s1.
What are the key properties of 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole?
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole has a molecular weight of 354.45 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole is sourced from PubChem (CID 40517498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).