2-amino-5-propan-2-yl-1H-imidazol-4-ol

C6H11N3O — CID 45075983

IUPAC2-amino-5-propan-2-yl-1H-imidazol-4-ol
SMILESCC(C)c1[nH]c(N)nc1O
InChIInChI=1S/C6H11N3O/c1-3(2)4-5(10)9-6(7)8-4/h3,10H,1-2H3,(H3,7,8,9)
InChIKeyRTHQBVWGWQZMSR-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.82
Rot. Bonds1

About 2-amino-5-propan-2-yl-1H-imidazol-4-ol

2-amino-5-propan-2-yl-1H-imidazol-4-ol (PubChem CID 45075983) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-5-propan-2-yl-1H-imidazol-4-ol.

Molecular Properties

Compound Name2-amino-5-propan-2-yl-1H-imidazol-4-ol
PubChem CID45075983
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-5-propan-2-yl-1H-imidazol-4-ol
SMILESCC(C)c1[nH]c(N)nc1O
InChIInChI=1S/C6H11N3O/c1-3(2)4-5(10)9-6(7)8-4/h3,10H,1-2H3,(H3,7,8,9)
InChIKeyRTHQBVWGWQZMSR-UHFFFAOYSA-N
XLogP0.82
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxyhistamine
CID 557598
2,5-dimethyl-1H-imidazol-4-ol
CID 54265485
2-fluoro-4-methoxy-5-propan-2-yl-1H-imidazole
CID 163995343
5-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-imidazol-4-ol
CID 113896956
5-methyl-2-(3,3,3-trifluoropropyl)-1H-imidazol-4-ol
CID 133628376
5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-imidazol-4-ol
CID 133637991
5-ethyl-1H-imidazol-4-ol
CID 14094187
5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-ol
CID 21031485
2-ethyl-5-propan-2-yl-1H-imidazol-4-ol
CID 54338164
2-ethyl-5-(2-methylpropyl)-1H-imidazol-4-ol
CID 56996825
5-(2-methylpropyl)-1H-imidazol-4-ol
CID 57091779
2-ethyl-5-methyl-1H-imidazol-4-ol
CID 57136495

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-propan-2-yl-1H-imidazol-4-ol?
The IUPAC name of 2-amino-5-propan-2-yl-1H-imidazol-4-ol (CID 45075983) is 2-amino-5-propan-2-yl-1H-imidazol-4-ol.
What is the SMILES notation for 2-amino-5-propan-2-yl-1H-imidazol-4-ol?
The canonical SMILES for 2-amino-5-propan-2-yl-1H-imidazol-4-ol is CC(C)c1[nH]c(N)nc1O.
What is the InChIKey of 2-amino-5-propan-2-yl-1H-imidazol-4-ol?
The InChIKey is RTHQBVWGWQZMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3(2)4-5(10)9-6(7)8-4/h3,10H,1-2H3,(H3,7,8,9).
What are the key properties of 2-amino-5-propan-2-yl-1H-imidazol-4-ol?
2-amino-5-propan-2-yl-1H-imidazol-4-ol has a molecular weight of 141.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-propan-2-yl-1H-imidazol-4-ol is sourced from PubChem (CID 45075983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).