2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol

C9H18N2O — CID 143009555

IUPAC2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol
SMILESCCC[C@H]1CN=C(C(C)(C)O)N1
InChIInChI=1S/C9H18N2O/c1-4-5-7-6-10-8(11-7)9(2,3)12/h7,12H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyRNFKIZUONKGWGY-ZETCQYMHSA-N
MW170.26 g/mol
LogP0.93
Rot. Bonds3

About 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol

2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol (PubChem CID 143009555) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol
PubChem CID143009555
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol
SMILESCCC[C@H]1CN=C(C(C)(C)O)N1
InChIInChI=1S/C9H18N2O/c1-4-5-7-6-10-8(11-7)9(2,3)12/h7,12H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1
InChIKeyRNFKIZUONKGWGY-ZETCQYMHSA-N
XLogP0.93
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol?
The IUPAC name of 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol (CID 143009555) is 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol is CCC[C@H]1CN=C(C(C)(C)O)N1.
What is the InChIKey of 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol?
The InChIKey is RNFKIZUONKGWGY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-7-6-10-8(11-7)9(2,3)12/h7,12H,4-6H2,1-3H3,(H,10,11)/t7-/m0/s1.
What are the key properties of 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol?
2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol has a molecular weight of 170.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-propyl-4,5-dihydro-1H-imidazol-2-yl]propan-2-ol is sourced from PubChem (CID 143009555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).