1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol

C7H15N3O — CID 115618533

IUPAC1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1=NCCN1
InChIInChI=1S/C7H15N3O/c1-7(2,11)5-10-6-8-3-4-9-6/h11H,3-5H2,1-2H3,(H2,8,9,10)
InChIKeyMQZXGAOXZOFGRM-UHFFFAOYSA-N
MW157.22 g/mol
LogP-0.69
Rot. Bonds2

About 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol

1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol (PubChem CID 115618533) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol
PubChem CID115618533
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1=NCCN1
InChIInChI=1S/C7H15N3O/c1-7(2,11)5-10-6-8-3-4-9-6/h11H,3-5H2,1-2H3,(H2,8,9,10)
InChIKeyMQZXGAOXZOFGRM-UHFFFAOYSA-N
XLogP-0.69
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol (CID 115618533) is 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol is CC(C)(O)CNC1=NCCN1.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol?
The InChIKey is MQZXGAOXZOFGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c1-7(2,11)5-10-6-8-3-4-9-6/h11H,3-5H2,1-2H3,(H2,8,9,10).
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol?
1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol has a molecular weight of 157.22 g/mol, XLogP of -0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 115618533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).