3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one

C10H10ClFN2O — CID 140970268

IUPAC3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one
SMILESO=C(CCCl)c1cc2c(cc1F)NCN2
InChIInChI=1S/C10H10ClFN2O/c11-2-1-10(15)6-3-8-9(4-7(6)12)14-5-13-8/h3-4,13-14H,1-2,5H2
InChIKeyJDZPYMILAHHZSY-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.43
Rot. Bonds3

About 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one

3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one (PubChem CID 140970268) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one
PubChem CID140970268
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one
SMILESO=C(CCCl)c1cc2c(cc1F)NCN2
InChIInChI=1S/C10H10ClFN2O/c11-2-1-10(15)6-3-8-9(4-7(6)12)14-5-13-8/h3-4,13-14H,1-2,5H2
InChIKeyJDZPYMILAHHZSY-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 19859591
1-(2-bromo-3-fluorophenyl)-3-chloropropan-1-one
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4-chloro-1-(2,5-difluorophenyl)butan-1-one
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1-(3-bromo-4-fluorophenyl)-3-chloropropan-1-one
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3-chloro-1-(2,4-difluoro-6-hydroxyphenyl)propan-1-one
CID 163196629
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
3-chloro-1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-1-one
CID 134626215
3-chloro-1-(4,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82627725
3-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-one
CID 117322870
3-chloro-1-(7-fluoro-1-benzothiophen-3-yl)propan-1-one
CID 90061501
1-[2-bromo-4-(fluoromethoxy)phenyl]-3-chloropropan-1-one
CID 118835774

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one?
The IUPAC name of 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one (CID 140970268) is 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one?
The canonical SMILES for 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one is O=C(CCCl)c1cc2c(cc1F)NCN2.
What is the InChIKey of 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one?
The InChIKey is JDZPYMILAHHZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-2-1-10(15)6-3-8-9(4-7(6)12)14-5-13-8/h3-4,13-14H,1-2,5H2.
What are the key properties of 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one?
3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one has a molecular weight of 228.65 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(6-fluoro-2,3-dihydro-1H-benzimidazol-5-yl)propan-1-one is sourced from PubChem (CID 140970268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).