5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

C16H15ClN2O2 — CID 61084951

IUPAC5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1CC(Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15ClN2O2/c1-21-15-5-3-2-4-11(15)8-12(17)10-6-7-13-14(9-10)19-16(20)18-13/h2-7,9,12H,8H2,1H3,(H2,18,19,20)
InChIKeyITTRUOSSTMHPNA-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.39
Rot. Bonds4

About 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61084951) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61084951
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccccc1CC(Cl)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H15ClN2O2/c1-21-15-5-3-2-4-11(15)8-12(17)10-6-7-13-14(9-10)19-16(20)18-13/h2-7,9,12H,8H2,1H3,(H2,18,19,20)
InChIKeyITTRUOSSTMHPNA-UHFFFAOYSA-N
XLogP3.39
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.39
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

5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085374
5-[(1S)-1-[(2-methoxyphenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 95938822
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
5-[1-chloro-2-(3-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62388732
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 63017209
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzene
CID 63543176
5-[1-chloro-2-(3-fluorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61085159
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-propoxybenzene
CID 63543351
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 61084951) is 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is COc1ccccc1CC(Cl)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ITTRUOSSTMHPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-21-15-5-3-2-4-11(15)8-12(17)10-6-7-13-14(9-10)19-16(20)18-13/h2-7,9,12H,8H2,1H3,(H2,18,19,20).
What are the key properties of 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 302.76 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61084951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).