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

C15H14ClN3O — CID 43201238

IUPAC5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cccc(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14ClN3O/c1-9(17-12-4-2-3-11(16)8-12)10-5-6-13-14(7-10)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20)
InChIKeyMHCUCKHXUMMKDA-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.68
Rot. Bonds3

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

5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43201238) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43201238
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1cccc(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14ClN3O/c1-9(17-12-4-2-3-11(16)8-12)10-5-6-13-14(7-10)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20)
InChIKeyMHCUCKHXUMMKDA-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-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
5-[1-(3-ethynylanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200548
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43124298
3-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 43098367
3-[(3-chlorophenyl)sulfamoyl]-4-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 166185338
2-[1-(3-chlorophenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45281792
3-chloro-N-[1-[4-(dimethylamino)phenyl]ethyl]aniline
CID 43762049
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
5-[1-[(2-chloro-4-methyl-3-pyridinyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65483753
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
3-chloro-N-[(1R)-1-pyridin-4-ylethyl]aniline
CID 40545594

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43201238) is 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(Nc1cccc(Cl)c1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MHCUCKHXUMMKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c1-9(17-12-4-2-3-11(16)8-12)10-5-6-13-14(7-10)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20).
What are the key properties of 5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(3-chloroanilino)ethyl]-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-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43201238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).