1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one

C20H18BrF3N2O — CID 118325139

IUPAC1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one
SMILESO=c1n(CC2CCCC2)c2cc(C(F)(F)F)ccc2n1-c1cccc(Br)c1
InChIInChI=1S/C20H18BrF3N2O/c21-15-6-3-7-16(11-15)26-17-9-8-14(20(22,23)24)10-18(17)25(19(26)27)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2
InChIKeyYOEACILDAYGKDC-UHFFFAOYSA-N
MW439.28 g/mol
LogP5.76
Rot. Bonds3

About 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one

1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one (PubChem CID 118325139) has the molecular formula C20H18BrF3N2O and a molecular weight of 439.28 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one
PubChem CID118325139
Molecular FormulaC20H18BrF3N2O
Molecular Weight439.28 g/mol
Exact Mass438.06
IUPAC Name1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one
SMILESO=c1n(CC2CCCC2)c2cc(C(F)(F)F)ccc2n1-c1cccc(Br)c1
InChIInChI=1S/C20H18BrF3N2O/c21-15-6-3-7-16(11-15)26-17-9-8-14(20(22,23)24)10-18(17)25(19(26)27)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2
InChIKeyYOEACILDAYGKDC-UHFFFAOYSA-N
XLogP5.76
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.28
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 797061
1-[(2-Bromophenyl)methyl]-3-methylbenzimidazol-2-one
CID 761914
2H-Benzimidazol-2-one, 1,3-dihydro-1-methyl-3-phenyl-5-(trifluoromethyl)-
CID 3061765
7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
CID 69259305
US11970474, Example 74
CID 152438712
1-Methyl-3-[4-(trifluoromethyl)phenyl]benzimidazol-2-one
CID 162617795
1-[(4-Bromophenyl)methyl]-3-propylbenzimidazol-2-one
CID 8098164
1-Benzyl-5-bromo-1H-benzo[d]imidazol-2(3H)-one
CID 10017835
1,3-Bis[(2-bromophenyl)methyl]benzimidazol-2-one
CID 118390464
3-(4-Bromophenyl)-4-ethyl-1-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 14050274
5-bromo-7-(trifluoromethyl)-1-[3-(trifluoromethyl)benzyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 22327356
1-(4-Bromo-3-methylphenyl)-3-(3-(trifluoromethyl)phenyl)imidazolidin-2-one
CID 69464922

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one?
The IUPAC name of 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one (CID 118325139) is 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one is O=c1n(CC2CCCC2)c2cc(C(F)(F)F)ccc2n1-c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one?
The InChIKey is YOEACILDAYGKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrF3N2O/c21-15-6-3-7-16(11-15)26-17-9-8-14(20(22,23)24)10-18(17)25(19(26)27)12-13-4-1-2-5-13/h3,6-11,13H,1-2,4-5,12H2.
What are the key properties of 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one?
1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one has a molecular weight of 439.28 g/mol, XLogP of 5.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(cyclopentylmethyl)-5-(trifluoromethyl)benzimidazol-2-one is sourced from PubChem (CID 118325139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).