5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one

C14H21N3O2 — CID 17206813

IUPAC5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOCCCNCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H21N3O2/c1-16-12-6-5-11(10-15-7-4-8-19-3)9-13(12)17(2)14(16)18/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyOBSRFJOSVCPZJH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.00
Rot. Bonds6

About 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one

5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 17206813) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID17206813
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCOCCCNCc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C14H21N3O2/c1-16-12-6-5-11(10-15-7-4-8-19-3)9-13(12)17(2)14(16)18/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyOBSRFJOSVCPZJH-UHFFFAOYSA-N
XLogP1.00
TPSA48.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one (CID 17206813) is 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one is COCCCNCc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is OBSRFJOSVCPZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-12-6-5-11(10-15-7-4-8-19-3)9-13(12)17(2)14(16)18/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxypropylamino)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 17206813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).