5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

C13H11ClN2O2 — CID 61085783

IUPAC5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11ClN2O2/c1-7-9(4-5-18-7)12(14)8-2-3-10-11(6-8)16-13(17)15-10/h2-6,12H,1H3,(H2,15,16,17)
InChIKeyITZUBZOZTKMQTJ-UHFFFAOYSA-N
MW262.70 g/mol
LogP3.09
Rot. Bonds2

About 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61085783) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61085783
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1occc1C(Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H11ClN2O2/c1-7-9(4-5-18-7)12(14)8-2-3-10-11(6-8)16-13(17)15-10/h2-6,12H,1H3,(H2,15,16,17)
InChIKeyITZUBZOZTKMQTJ-UHFFFAOYSA-N
XLogP3.09
TPSA61.79 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro-(3,4-dimethylphenyl)methyl]-2-methylfuran
CID 61082154
5-[chloro-(3-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61086586
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[chloro-(3,5-dibromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107980822
5-[(5-bromofuran-2-yl)-chloromethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085785
3-[chloro-(4-methoxy-3-methylphenyl)methyl]-2-methylfuran
CID 61084840
3-[chloro-(4-ethylphenyl)methyl]-2-methylfuran
CID 61085601
6-[chloro-(2-iodophenyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61085146
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62388732
3-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-2-methylfuran
CID 63431355
3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
CID 61085111

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 61085783) is 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1occc1C(Cl)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ITZUBZOZTKMQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-7-9(4-5-18-7)12(14)8-2-3-10-11(6-8)16-13(17)15-10/h2-6,12H,1H3,(H2,15,16,17).
What are the key properties of 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 262.70 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-methylfuran-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61085783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).