5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C15H11BrCl2N2O — CID 81316473

IUPAC5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Cl)cc(C(Cl)c2cc3[nH]c(=O)[nH]c3cc2Br)c1
InChIInChI=1S/C15H11BrCl2N2O/c1-7-2-8(4-9(17)3-7)14(18)10-5-12-13(6-11(10)16)20-15(21)19-12/h2-6,14H,1H3,(H2,19,20,21)
InChIKeySNWZXEWKHNCZGO-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.91
Rot. Bonds2

About 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 81316473) has the molecular formula C15H11BrCl2N2O and a molecular weight of 386.08 g/mol. Its IUPAC name is 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID81316473
Molecular FormulaC15H11BrCl2N2O
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(Cl)cc(C(Cl)c2cc3[nH]c(=O)[nH]c3cc2Br)c1
InChIInChI=1S/C15H11BrCl2N2O/c1-7-2-8(4-9(17)3-7)14(18)10-5-12-13(6-11(10)16)20-15(21)19-12/h2-6,14H,1H3,(H2,19,20,21)
InChIKeySNWZXEWKHNCZGO-UHFFFAOYSA-N
XLogP4.91
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 81316473) is 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1cc(Cl)cc(C(Cl)c2cc3[nH]c(=O)[nH]c3cc2Br)c1.
What is the InChIKey of 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SNWZXEWKHNCZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O/c1-7-2-8(4-9(17)3-7)14(18)10-5-12-13(6-11(10)16)20-15(21)19-12/h2-6,14H,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 386.08 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 81316473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).