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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Related Compounds

Sumanirole
CID 9818479
1-Ebio
CID 82320
(5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one
CID 132955
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-Methylbenzimidazolone
CID 223134
1,3-Dihydro-1-(1,2,3,6-tetrahydro-1-(phenylmethyl)-4-pyridinyl)-2H-benzimidazol-2-one
CID 96482
1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 1653580
N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 2987636
4,5,6,7-Tetrahydro-5-methylimidazo(4,5,1-jk)(1,4)benzodiazepin-2(1H)-one
CID 130870
1-(Cyclopropylmethyl)-3-(3-methylphenyl)urea
CID 2815457
1H-Indole-1-carboxamide, 2,3-dihydro-N-(4-methylphenyl)-
CID 1225695
Orphine
CID 21262767

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).