3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one

C15H21N3O2 — CID 106937791

IUPAC3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCOCC1CCCN1
InChIInChI=1S/C15H21N3O2/c19-15-17-13-6-1-2-7-14(13)18(15)9-4-10-20-11-12-5-3-8-16-12/h1-2,6-7,12,16H,3-5,8-11H2,(H,17,19)
InChIKeyIUOXHMLWLFZZDJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.49
Rot. Bonds6

About 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one

3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one (PubChem CID 106937791) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
PubChem CID106937791
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCOCC1CCCN1
InChIInChI=1S/C15H21N3O2/c19-15-17-13-6-1-2-7-14(13)18(15)9-4-10-20-11-12-5-3-8-16-12/h1-2,6-7,12,16H,3-5,8-11H2,(H,17,19)
InChIKeyIUOXHMLWLFZZDJ-UHFFFAOYSA-N
XLogP1.49
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(piperidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one
CID 106937761
3-(3-piperidin-4-yloxypropyl)-1H-benzimidazol-2-one
CID 106937632
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
3-(3-phenoxypropyl)-1H-benzimidazol-2-one
CID 649414
3-[3-(2-amino-2-methylpropoxy)propyl]-1H-benzimidazol-2-one
CID 106938183
3-[3-(4-aminophenoxy)propyl]-1H-benzimidazol-2-one
CID 61035080
3-[3-(2-amino-2-methylbutoxy)propyl]-1H-benzimidazol-2-one
CID 106938306
3-[3-[2-(propylamino)ethoxy]propyl]-1H-benzimidazol-2-one
CID 106937920
3-(3-piperidin-1-ium-1-ylpropyl)-1H-benzimidazol-2-one chloride
CID 44664394
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3,5-dimethylbenzoate
CID 16523706
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one (CID 106937791) is 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCOCC1CCCN1.
What is the InChIKey of 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one?
The InChIKey is IUOXHMLWLFZZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15-17-13-6-1-2-7-14(13)18(15)9-4-10-20-11-12-5-3-8-16-12/h1-2,6-7,12,16H,3-5,8-11H2,(H,17,19).
What are the key properties of 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one?
3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pyrrolidin-2-ylmethoxy)propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 106937791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).