5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one

C15H14IN3O — CID 43124298

IUPAC5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc(I)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14IN3O/c1-9(17-12-5-3-11(16)4-6-12)10-2-7-13-14(8-10)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20)
InChIKeyFGWPSOOZOIQPMO-UHFFFAOYSA-N
MW379.20 g/mol
LogP3.63
Rot. Bonds3

About 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43124298) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43124298
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC Name5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(Nc1ccc(I)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14IN3O/c1-9(17-12-5-3-11(16)4-6-12)10-2-7-13-14(8-10)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20)
InChIKeyFGWPSOOZOIQPMO-UHFFFAOYSA-N
XLogP3.63
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[1-(4-chlorophenyl)ethylamino]-1,3-dihydrobenzimidazol-2-one
CID 43201877
5-[1-(3-chloroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201238
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(3-ethynylanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200548
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-(2,5-dibromoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43736606
4-iodo-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43124343
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 83229540

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43124298) is 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(Nc1ccc(I)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FGWPSOOZOIQPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN3O/c1-9(17-12-5-3-11(16)4-6-12)10-2-7-13-14(8-10)19-15(20)18-13/h2-9,17H,1H3,(H2,18,19,20).
What are the key properties of 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 379.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-iodoanilino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43124298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).