(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol

C15H21N3O — CID 717649

IUPAC(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)CN1C2=NCCN2c2ccccc21
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/t13-/m1/s1
InChIKeyRSBBCUYYRRXEQV-CYBMUJFWSA-N
MW259.35 g/mol
LogP2.09
Rot. Bonds2

About (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol

(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol (PubChem CID 717649) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol
PubChem CID717649
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)CN1C2=NCCN2c2ccccc21
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/t13-/m1/s1
InChIKeyRSBBCUYYRRXEQV-CYBMUJFWSA-N
XLogP2.09
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol?
The IUPAC name of (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol (CID 717649) is (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol is CC(C)(C)[C@H](O)CN1C2=NCCN2c2ccccc21.
What is the InChIKey of (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol?
The InChIKey is RSBBCUYYRRXEQV-CYBMUJFWSA-N. 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/t13-/m1/s1.
What are the key properties of (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol?
(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol has a molecular weight of 259.35 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 717649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).