1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone

C12H16N2OSe — CID 145375925

IUPAC1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone
SMILESCOCCCn1c(=[Se])n(C)c2ccccc21
InChIInChI=1S/C12H16N2OSe/c1-13-10-6-3-4-7-11(10)14(12(13)16)8-5-9-15-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyZOKUHXPDVREDOA-UHFFFAOYSA-N
MW283.23 g/mol
LogP1.72
Rot. Bonds4

About 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone

1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone (PubChem CID 145375925) has the molecular formula C12H16N2OSe and a molecular weight of 283.23 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone.

Molecular Properties

Compound Name1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone
PubChem CID145375925
Molecular FormulaC12H16N2OSe
Molecular Weight283.23 g/mol
Exact Mass284.04
IUPAC Name1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone
SMILESCOCCCn1c(=[Se])n(C)c2ccccc21
InChIInChI=1S/C12H16N2OSe/c1-13-10-6-3-4-7-11(10)14(12(13)16)8-5-9-15-2/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyZOKUHXPDVREDOA-UHFFFAOYSA-N
XLogP1.72
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21478631
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
CID 59177546
1-(4-methoxybutyl)-2-methylbenzimidazole
CID 104649828
7-fluoro-3-(3-methoxypropyl)-1H-benzimidazol-2-one
CID 117206096
1-[3-(4-chlorophenoxy)propyl]-3-methylbenzimidazol-2-one
CID 2237155
5-(3-methoxypropyl)-1,3-diphenyl-1,3,5-triazinane-2-thione
CID 7339705
1-butyl-3-methoxybenzimidazol-2-one
CID 162373122
(3R,4S)-1-(3-methoxypropyl)-4-phenylpyrrolidin-3-amine
CID 86283678
[1-(11-methoxyundecyl)-2-methylindol-3-yl]-phenylmethanone
CID 70528535
3-[3-(2-methoxyethylamino)propyl]-1,3-benzoxazol-2-one
CID 62564028
1-benzyl-3-(3-methoxypropyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486358

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone?
The IUPAC name of 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone (CID 145375925) is 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone.
What is the SMILES notation for 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone?
The canonical SMILES for 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone is COCCCn1c(=[Se])n(C)c2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone?
The InChIKey is ZOKUHXPDVREDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OSe/c1-13-10-6-3-4-7-11(10)14(12(13)16)8-5-9-15-2/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone?
1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone has a molecular weight of 283.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-3-methylbenzimidazole-2-selone is sourced from PubChem (CID 145375925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).