5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole

C8H13N3O — CID 118613808

IUPAC5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCC(C)n1cnc2c1CN(O)C2
InChIInChI=1S/C8H13N3O/c1-6(2)11-5-9-7-3-10(12)4-8(7)11/h5-6,12H,3-4H2,1-2H3
InChIKeyUQBHYCWUHDPMCO-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.17
Rot. Bonds1

About 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole

5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole (PubChem CID 118613808) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
PubChem CID118613808
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole
SMILESCC(C)n1cnc2c1CN(O)C2
InChIInChI=1S/C8H13N3O/c1-6(2)11-5-9-7-3-10(12)4-8(7)11/h5-6,12H,3-4H2,1-2H3
InChIKeyUQBHYCWUHDPMCO-UHFFFAOYSA-N
XLogP1.17
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-5-propan-2-yl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 57931370
3,5-Dimethyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 70875703
5-Hydroxy-3-methyl-2-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613806
5-Hydroxy-2-methyl-3-(2,2,2-trifluoroethyl)-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613867
2-(Difluoromethyl)-3-ethyl-5-hydroxy-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118614117
N'-amino-N-(difluoromethylimino)-5-hydroxy-3-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 118614233
N-(aminomethylidene)-3-(difluoromethyl)-5-hydroxy-N'-methyl-4,6-dihydropyrrolo[3,4-d]imidazole-2-carboximidamide
CID 144979207
4,5-Dimethyl-1-(3-pyrrolidin-1-ylpropyl)imidazole
CID 19965038
1-(3-hydroxy-2,5-dimethylimidazol-4-yl)-N,N-dimethylmethanamine
CID 23332852
5-propan-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazole
CID 58798983
1-methyl-1H,4H,5H,6H-pyrrolo[3,4-d]imidazole
CID 82418913
5-Hydroxy-2,3-dimethyl-4,6-dihydropyrrolo[3,4-d]imidazole
CID 118613800

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
The IUPAC name of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole (CID 118613808) is 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole is CC(C)n1cnc2c1CN(O)C2.
What is the InChIKey of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
The InChIKey is UQBHYCWUHDPMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(2)11-5-9-7-3-10(12)4-8(7)11/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole?
5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole has a molecular weight of 167.21 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-propan-2-yl-4,6-dihydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 118613808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).