2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol

C9H17N3O — CID 82407032

IUPAC2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol
SMILESCCC(N)C(O)c1nc(C)c(C)[nH]1
InChIInChI=1S/C9H17N3O/c1-4-7(10)8(13)9-11-5(2)6(3)12-9/h7-8,13H,4,10H2,1-3H3,(H,11,12)
InChIKeyMPADBEAQBHFCEA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds3

About 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol

2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol (PubChem CID 82407032) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol
PubChem CID82407032
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol
SMILESCCC(N)C(O)c1nc(C)c(C)[nH]1
InChIInChI=1S/C9H17N3O/c1-4-7(10)8(13)9-11-5(2)6(3)12-9/h7-8,13H,4,10H2,1-3H3,(H,11,12)
InChIKeyMPADBEAQBHFCEA-UHFFFAOYSA-N
XLogP0.80
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol (CID 82407032) is 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol is CCC(N)C(O)c1nc(C)c(C)[nH]1.
What is the InChIKey of 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol?
The InChIKey is MPADBEAQBHFCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-7(10)8(13)9-11-5(2)6(3)12-9/h7-8,13H,4,10H2,1-3H3,(H,11,12).
What are the key properties of 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol?
2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,5-dimethyl-1H-imidazol-2-yl)butan-1-ol is sourced from PubChem (CID 82407032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).