1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole

C17H13Cl2FN2O — CID 507391

IUPAC1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2CC=C(Cl)Cl
InChIInChI=1S/C17H13Cl2FN2O/c1-23-14-8-4-7-13-16(14)21-17(22(13)10-9-15(18)19)11-5-2-3-6-12(11)20/h2-9H,10H2,1H3
InChIKeyPVTKGMRJSSDVIJ-UHFFFAOYSA-N
MW351.21 g/mol
LogP5.17
Rot. Bonds4

About 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole

1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole (PubChem CID 507391) has the molecular formula C17H13Cl2FN2O and a molecular weight of 351.21 g/mol. Its IUPAC name is 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole.

Molecular Properties

Compound Name1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
PubChem CID507391
Molecular FormulaC17H13Cl2FN2O
Molecular Weight351.21 g/mol
Exact Mass350.04
IUPAC Name1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole
SMILESCOc1cccc2c1nc(-c1ccccc1F)n2CC=C(Cl)Cl
InChIInChI=1S/C17H13Cl2FN2O/c1-23-14-8-4-7-13-16(14)21-17(22(13)10-9-15(18)19)11-5-2-3-6-12(11)20/h2-9H,10H2,1H3
InChIKeyPVTKGMRJSSDVIJ-UHFFFAOYSA-N
XLogP5.17
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.21
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dimethylphenyl)methyl]-2-(2-fluorophenyl)-4-methoxybenzimidazole
CID 507354
2-(2-fluorophenyl)-4-methoxy-1-(naphthalen-1-ylmethyl)benzimidazole
CID 507380
2-[2-(2-fluorophenyl)-4-methoxybenzimidazol-1-yl]acetonitrile
CID 507394
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]-4-prop-2-enoxybenzimidazole
CID 10386964
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-8-methoxyquinazolin-4-one
CID 135401163
2-(2-fluorophenyl)-1-[2-(3-methoxyphenoxy)ethyl]benzimidazole
CID 19243301
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The IUPAC name of 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole (CID 507391) is 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole.
What is the SMILES notation for 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The canonical SMILES for 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole is COc1cccc2c1nc(-c1ccccc1F)n2CC=C(Cl)Cl.
What is the InChIKey of 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole?
The InChIKey is PVTKGMRJSSDVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2FN2O/c1-23-14-8-4-7-13-16(14)21-17(22(13)10-9-15(18)19)11-5-2-3-6-12(11)20/h2-9H,10H2,1H3.
What are the key properties of 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole?
1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole has a molecular weight of 351.21 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dichloroprop-2-enyl)-2-(2-fluorophenyl)-4-methoxybenzimidazole is sourced from PubChem (CID 507391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).