3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one

C15H9Cl2N3O2 — CID 46990315

IUPAC3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C15H9Cl2N3O2/c16-8-5-10-11(6-9(8)17)19-14(18-10)7-20-12-3-1-2-4-13(12)22-15(20)21/h1-6H,7H2,(H,18,19)
InChIKeyMYJSWMXDKJUVOB-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.83
Rot. Bonds2

About 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one

3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 46990315) has the molecular formula C15H9Cl2N3O2 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID46990315
Molecular FormulaC15H9Cl2N3O2
Molecular Weight334.16 g/mol
Exact Mass333.01
IUPAC Name3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESO=c1oc2ccccc2n1Cc1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C15H9Cl2N3O2/c16-8-5-10-11(6-9(8)17)19-14(18-10)7-20-12-3-1-2-4-13(12)22-15(20)21/h1-6H,7H2,(H,18,19)
InChIKeyMYJSWMXDKJUVOB-UHFFFAOYSA-N
XLogP3.83
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 80664476
3-[(6-chloropyridazin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 104513870
3-[(2-chloro-3-pyridinyl)methyl]-1,3-benzoxazol-2-one
CID 62470052
3-[(2-amino-4-chlorophenyl)methyl]-1,3-benzoxazol-2-one
CID 62100918
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 17451250
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-benzoxazol-2-one
CID 53210082
(5,6-dichloro-1H-benzimidazol-2-yl)methanethiol
CID 102056508
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52711183
(3,4-dichlorophenyl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 7401044
3-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-1,3-benzoxazol-2-one
CID 62188650
5-[(2-oxo-1,3-benzoxazol-3-yl)methyl]furan-2-carbaldehyde
CID 113372347
5,6-dichloro-2-(2-chloroethyl)-1H-benzimidazole
CID 82004888

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one (CID 46990315) is 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one is O=c1oc2ccccc2n1Cc1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is MYJSWMXDKJUVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O2/c16-8-5-10-11(6-9(8)17)19-14(18-10)7-20-12-3-1-2-4-13(12)22-15(20)21/h1-6H,7H2,(H,18,19).
What are the key properties of 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one?
3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 334.16 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dichloro-1H-benzimidazol-2-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 46990315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).