5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one

C15H21N3O — CID 96677412

IUPAC5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CCCNC3CC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-13-8-5-11(4-3-9-16-12-6-7-12)10-14(13)18(2)15(17)19/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyJSWKGZWBMFWYOI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.56
Rot. Bonds5

About 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one

5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 96677412) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID96677412
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CCCNC3CC3)ccc21
InChIInChI=1S/C15H21N3O/c1-17-13-8-5-11(4-3-9-16-12-6-7-12)10-14(13)18(2)15(17)19/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3
InChIKeyJSWKGZWBMFWYOI-UHFFFAOYSA-N
XLogP1.56
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one (CID 96677412) is 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(CCCNC3CC3)ccc21.
What is the InChIKey of 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is JSWKGZWBMFWYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-13-8-5-11(4-3-9-16-12-6-7-12)10-14(13)18(2)15(17)19/h5,8,10,12,16H,3-4,6-7,9H2,1-2H3.
What are the key properties of 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one?
5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(cyclopropylamino)propyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 96677412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).