5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

C14H9Br2ClN2O2 — CID 107955619

IUPAC5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(O)c3cc(Cl)cc(Br)c3)cc2[nH]1
InChIInChI=1S/C14H9Br2ClN2O2/c15-7-1-6(2-8(17)3-7)13(20)9-4-11-12(5-10(9)16)19-14(21)18-11/h1-5,13,20H,(H2,18,19,21)
InChIKeyYSPSSEXQLSHJNM-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.12
Rot. Bonds2

About 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 107955619) has the molecular formula C14H9Br2ClN2O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID107955619
Molecular FormulaC14H9Br2ClN2O2
Molecular Weight432.50 g/mol
Exact Mass429.87
IUPAC Name5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Br)c(C(O)c3cc(Cl)cc(Br)c3)cc2[nH]1
InChIInChI=1S/C14H9Br2ClN2O2/c15-7-1-6(2-8(17)3-7)13(20)9-4-11-12(5-10(9)16)19-14(21)18-11/h1-5,13,20H,(H2,18,19,21)
InChIKeyYSPSSEXQLSHJNM-UHFFFAOYSA-N
XLogP4.12
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-[chloro-(3-chloro-5-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81316473
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 82758247
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
5-bromo-6-[(4,5-dibromothiophen-2-yl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 80538823
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-chlorophenyl)methanol
CID 107955780
(3-bromo-5-chlorophenyl)-(2-chlorophenyl)methanol
CID 107947286
5-bromo-6-[bromo-(2-bromo-4-chlorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107991847
5-bromo-6-[bromo-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447411
5-[(4-chlorophenyl)-hydroxymethyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 82174436
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
5-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-6-chloro-1,3-dihydroindol-2-one
CID 107955565
5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 62373578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one (CID 107955619) is 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Br)c(C(O)c3cc(Cl)cc(Br)c3)cc2[nH]1.
What is the InChIKey of 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YSPSSEXQLSHJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClN2O2/c15-7-1-6(2-8(17)3-7)13(20)9-4-11-12(5-10(9)16)19-14(21)18-11/h1-5,13,20H,(H2,18,19,21).
What are the key properties of 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 432.50 g/mol, XLogP of 4.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(3-bromo-5-chlorophenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 107955619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).