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

C15H23N3O — CID 10400446

IUPAC5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCN(CCC)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-3-8-18(9-4-2)10-7-12-5-6-13-14(11-12)17-15(19)16-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyVDIFKCQFOAEDHD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.52
Rot. Bonds7

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

5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 10400446) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID10400446
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCCN(CCC)CCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-3-8-18(9-4-2)10-7-12-5-6-13-14(11-12)17-15(19)16-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,16,17,19)
InChIKeyVDIFKCQFOAEDHD-UHFFFAOYSA-N
XLogP2.52
TPSA51.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 10400446) is 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CCCN(CCC)CCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VDIFKCQFOAEDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-8-18(9-4-2)10-7-12-5-6-13-14(11-12)17-15(19)16-13/h5-6,11H,3-4,7-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 10400446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).