2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride

C19H19ClN2O — CID 171151741

IUPAC2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
SMILESC=CCn1c(C=Cc2ccccc2OC)nc2ccccc21.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-3-14-21-17-10-6-5-9-16(17)20-19(21)13-12-15-8-4-7-11-18(15)22-2;/h3-13H,1,14H2,2H3;1H
InChIKeyYTHGFAARGOWKAV-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.82
Rot. Bonds5

About 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride

2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride (PubChem CID 171151741) has the molecular formula C19H19ClN2O and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
PubChem CID171151741
Molecular FormulaC19H19ClN2O
Molecular Weight326.83 g/mol
Exact Mass326.12
IUPAC Name2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride
SMILESC=CCn1c(C=Cc2ccccc2OC)nc2ccccc21.Cl
InChIInChI=1S/C19H18N2O.ClH/c1-3-14-21-17-10-6-5-9-16(17)20-19(21)13-12-15-8-4-7-11-18(15)22-2;/h3-13H,1,14H2,2H3;1H
InChIKeyYTHGFAARGOWKAV-UHFFFAOYSA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-methoxyphenyl)ethenyl]-1-(2-phenylethyl)benzimidazole
CID 3728738
2-[(E)-2-(2,6-dichlorophenyl)ethenyl]-1-prop-2-enylbenzimidazole
CID 18878893
2-[2-(furan-2-yl)ethenyl]-1-prop-2-enylbenzimidazole
CID 3162026
2-[(E)-2-(2-methoxyphenyl)ethenyl]-1-[(1S)-1-phenylethyl]benzimidazole
CID 40517498
2-[2-(2-methoxyphenoxy)ethylsulfanyl]-1-prop-2-enylbenzimidazole
CID 17027954
2-fluoro-1-prop-2-enylbenzimidazole
CID 70361625
1-ethyl-2-[(E)-2-(1-ethylbenzimidazol-2-yl)ethenyl]benzimidazole;dihydrate
CID 139069013
1-ethyl-2-[2-(4-methoxyphenyl)ethenyl]benzimidazole
CID 2919944
3-[(E)-2-(2-methoxyphenyl)ethenyl]-1-methylquinoxalin-2-one
CID 7186381
2-methyl-1-prop-2-enylbenzimidazole;vanadium;trichloride
CID 173061092
2-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 4201077
2-chloro-1-prop-2-enylbenzimidazole
CID 39916426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride (CID 171151741) is 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride is C=CCn1c(C=Cc2ccccc2OC)nc2ccccc21.Cl.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride?
The InChIKey is YTHGFAARGOWKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O.ClH/c1-3-14-21-17-10-6-5-9-16(17)20-19(21)13-12-15-8-4-7-11-18(15)22-2;/h3-13H,1,14H2,2H3;1H.
What are the key properties of 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride?
2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride has a molecular weight of 326.83 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethenyl]-1-prop-2-enylbenzimidazole;hydrochloride is sourced from PubChem (CID 171151741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).