5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one

C17H23BrN2O — CID 63444229

IUPAC5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(Br)CCC3CCCC3)ccc21
InChIInChI=1S/C17H23BrN2O/c1-19-15-10-8-13(11-16(15)20(2)17(19)21)14(18)9-7-12-5-3-4-6-12/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyXCSWCUFTGVTMNU-UHFFFAOYSA-N
MW351.29 g/mol
LogP4.28
Rot. Bonds4

About 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one

5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 63444229) has the molecular formula C17H23BrN2O and a molecular weight of 351.29 g/mol. Its IUPAC name is 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID63444229
Molecular FormulaC17H23BrN2O
Molecular Weight351.29 g/mol
Exact Mass350.10
IUPAC Name5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(Br)CCC3CCCC3)ccc21
InChIInChI=1S/C17H23BrN2O/c1-19-15-10-8-13(11-16(15)20(2)17(19)21)14(18)9-7-12-5-3-4-6-12/h8,10-12,14H,3-7,9H2,1-2H3
InChIKeyXCSWCUFTGVTMNU-UHFFFAOYSA-N
XLogP4.28
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-bromo-3,3,3-trifluoropropyl)-1,3-dimethylbenzimidazol-2-one
CID 62299926
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299908
6-(1-bromo-3-cyclopentylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010047
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
1-(1-bromo-3-cyclohexylpropyl)-4-(2-methylbutan-2-yl)benzene
CID 66258438
6-(1-bromo-3-cyclohexylpropyl)-3H-1,3-benzoxazol-2-one
CID 63441549
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62273475
5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62299740
5-[bromo(furan-2-yl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 55053977
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
5-(1-hydroxyhexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300603

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one (CID 63444229) is 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(Br)CCC3CCCC3)ccc21.
What is the InChIKey of 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is XCSWCUFTGVTMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O/c1-19-15-10-8-13(11-16(15)20(2)17(19)21)14(18)9-7-12-5-3-4-6-12/h8,10-12,14H,3-7,9H2,1-2H3.
What are the key properties of 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one?
5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 351.29 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 63444229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).