4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol

C9H18N2O — CID 138488014

IUPAC4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol
SMILESCCC(O)C(CC)C1=NCCN1
InChIInChI=1S/C9H18N2O/c1-3-7(8(12)4-2)9-10-5-6-11-9/h7-8,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyMKTHVOFBBDXIJX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.79
Rot. Bonds4

About 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol

4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol (PubChem CID 138488014) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol.

Molecular Properties

Compound Name4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol
PubChem CID138488014
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol
SMILESCCC(O)C(CC)C1=NCCN1
InChIInChI=1S/C9H18N2O/c1-3-7(8(12)4-2)9-10-5-6-11-9/h7-8,12H,3-6H2,1-2H3,(H,10,11)
InChIKeyMKTHVOFBBDXIJX-UHFFFAOYSA-N
XLogP0.79
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol?
The IUPAC name of 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol (CID 138488014) is 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol.
What is the SMILES notation for 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol?
The canonical SMILES for 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol is CCC(O)C(CC)C1=NCCN1.
What is the InChIKey of 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol?
The InChIKey is MKTHVOFBBDXIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7(8(12)4-2)9-10-5-6-11-9/h7-8,12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol?
4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol has a molecular weight of 170.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1H-imidazol-2-yl)hexan-3-ol is sourced from PubChem (CID 138488014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).