5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one

C15H14ClN3O — CID 43201877

IUPAC5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/c1-9(10-2-4-11(16)5-3-10)17-12-6-7-13-14(8-12)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20)
InChIKeyLXLLGGZOGCEYHU-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.68
Rot. Bonds3

About 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one

5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43201877) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID43201877
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O/c1-9(10-2-4-11(16)5-3-10)17-12-6-7-13-14(8-12)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20)
InChIKeyLXLLGGZOGCEYHU-UHFFFAOYSA-N
XLogP3.68
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43124298
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
5-[1-(2-chloro-4-fluorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43766489
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
5-[1-(3-ethynylanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200548
7-[1-(4-chlorophenyl)ethylamino]-2H-isoquinolin-1-one
CID 177299392
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-1,3-dihydrobenzimidazol-2-one
CID 34282424
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-chloro-2-iodo-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 55972322

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one (CID 43201877) is 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one is CC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LXLLGGZOGCEYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9(10-2-4-11(16)5-3-10)17-12-6-7-13-14(8-12)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20).
What are the key properties of 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.68, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43201877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).