2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole

C17H15FN2 — CID 143449401

IUPAC2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1c(-c2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C17H15FN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10H,1,11H2,2H3
InChIKeyKPMJSHQXBXXADS-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.42
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole

2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole (PubChem CID 143449401) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
PubChem CID143449401
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
SMILESC=C(C)Cn1c(-c2cccc(F)c2)nc2ccccc21
InChIInChI=1S/C17H15FN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10H,1,11H2,2H3
InChIKeyKPMJSHQXBXXADS-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylphenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 17000597
N,N-dicyclohexyl-2-[2-(3-fluorophenyl)benzimidazol-1-yl]acetamide
CID 175290021
1-ethyl-2-[7-(3-fluorophenyl)dibenzofuran-2-yl]benzimidazole
CID 156659698
ethyl 2-[2-(3-methylphenyl)benzimidazol-1-yl]acetate
CID 17000863
2-(2-phenylbenzimidazol-1-yl)acetic acid
CID 619876
2-[2-(3-methylphenoxy)ethylsulfanyl]-1-(2-methylprop-2-enyl)benzimidazole
CID 23613732
1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 20930588
2-[2-(3-chlorophenyl)benzimidazol-1-yl]ethanethioamide
CID 39151422
7,8-difluoro-4-[[2-(3-fluorophenyl)benzimidazol-1-yl]methyl]-1H-quinolin-2-one
CID 24782141
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17001917
N,N-diethyl-2-[2-(3-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17001793
2-[2-(4-fluorophenyl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 19243215

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The IUPAC name of 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole (CID 143449401) is 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole is C=C(C)Cn1c(-c2cccc(F)c2)nc2ccccc21.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole?
The InChIKey is KPMJSHQXBXXADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10H,1,11H2,2H3.
What are the key properties of 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole?
2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole has a molecular weight of 266.32 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole is sourced from PubChem (CID 143449401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).