1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride

C14H16BrClN2O — CID 90485862

IUPAC1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
SMILESC=C(Br)Cn1c(C2CCCO2)nc2ccccc21.Cl
InChIInChI=1S/C14H15BrN2O.ClH/c1-10(15)9-17-12-6-3-2-5-11(12)16-14(17)13-7-4-8-18-13;/h2-3,5-6,13H,1,4,7-9H2;1H
InChIKeyUZJSFYCWSPOYPT-UHFFFAOYSA-N
MW343.65 g/mol
LogP4.22
Rot. Bonds3

About 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride

1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride (PubChem CID 90485862) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
PubChem CID90485862
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
SMILESC=C(Br)Cn1c(C2CCCO2)nc2ccccc21.Cl
InChIInChI=1S/C14H15BrN2O.ClH/c1-10(15)9-17-12-6-3-2-5-11(12)16-14(17)13-7-4-8-18-13;/h2-3,5-6,13H,1,4,7-9H2;1H
InChIKeyUZJSFYCWSPOYPT-UHFFFAOYSA-N
XLogP4.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
1-(2-cyclohexylethyl)-2-(oxolan-2-yl)benzimidazole
CID 5298183
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
2-[(2S)-oxolan-2-yl]-1-(3-phenoxypropyl)benzimidazole
CID 51430251
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16973983
1-(2,5-dimethylphenoxy)-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960703
1-[(4-methylphenyl)methoxy]-3-[2-(oxolan-2-yl)benzimidazol-1-yl]propan-2-ol;hydrochloride
CID 138960739

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride?
The IUPAC name of 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride (CID 90485862) is 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride.
What is the SMILES notation for 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride?
The canonical SMILES for 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride is C=C(Br)Cn1c(C2CCCO2)nc2ccccc21.Cl.
What is the InChIKey of 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride?
The InChIKey is UZJSFYCWSPOYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O.ClH/c1-10(15)9-17-12-6-3-2-5-11(12)16-14(17)13-7-4-8-18-13;/h2-3,5-6,13H,1,4,7-9H2;1H.
What are the key properties of 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride?
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride has a molecular weight of 343.65 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride is sourced from PubChem (CID 90485862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).