1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol

C15H22N3O+ — CID 3534566

IUPAC1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cn1c2[n+](c3ccccc31)CCN2
InChIInChI=1S/C15H21N3O/c1-15(2,3)13(19)10-18-12-7-5-4-6-11(12)17-9-8-16-14(17)18/h4-7,13,19H,8-10H2,1-3H3/p+1
InChIKeyRSBBCUYYRRXEQV-UHFFFAOYSA-O
MW260.36 g/mol
LogP1.76
Rot. Bonds2

About 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol

1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol (PubChem CID 3534566) has the molecular formula C15H22N3O+ and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol
PubChem CID3534566
Molecular FormulaC15H22N3O+
Molecular Weight260.36 g/mol
Exact Mass260.18
IUPAC Name1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)C(O)Cn1c2[n+](c3ccccc31)CCN2
InChIInChI=1S/C15H21N3O/c1-15(2,3)13(19)10-18-12-7-5-4-6-11(12)17-9-8-16-14(17)18/h4-7,13,19H,8-10H2,1-3H3/p+1
InChIKeyRSBBCUYYRRXEQV-UHFFFAOYSA-O
XLogP1.76
TPSA41.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol (CID 3534566) is 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)C(O)Cn1c2[n+](c3ccccc31)CCN2.
What is the InChIKey of 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is RSBBCUYYRRXEQV-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)13(19)10-18-12-7-5-4-6-11(12)17-9-8-16-14(17)18/h4-7,13,19H,8-10H2,1-3H3/p+1.
What are the key properties of 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol?
1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 260.36 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-9-ium-4-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 3534566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).