3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one

C14H10BrF3N2O — CID 118325141

IUPAC3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one
SMILESO=C1NC2C=C(C(F)(F)F)C=CC2N1c1cccc(Br)c1
InChIInChI=1S/C14H10BrF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7,11-12H,(H,19,21)
InChIKeyMOAOBRLPEOIGDU-UHFFFAOYSA-N
MW359.15 g/mol
LogP3.77
Rot. Bonds1

About 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one

3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one (PubChem CID 118325141) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one
PubChem CID118325141
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC Name3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one
SMILESO=C1NC2C=C(C(F)(F)F)C=CC2N1c1cccc(Br)c1
InChIInChI=1S/C14H10BrF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7,11-12H,(H,19,21)
InChIKeyMOAOBRLPEOIGDU-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one (CID 118325141) is 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one is O=C1NC2C=C(C(F)(F)F)C=CC2N1c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one?
The InChIKey is MOAOBRLPEOIGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c15-9-2-1-3-10(7-9)20-12-5-4-8(14(16,17)18)6-11(12)19-13(20)21/h1-7,11-12H,(H,19,21).
What are the key properties of 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one?
3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one has a molecular weight of 359.15 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-6-(trifluoromethyl)-3a,7a-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 118325141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).