3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol

C9H16N2O — CID 55265936

IUPAC3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol
SMILESCCc1nc(CCCO)c(C)[nH]1
InChIInChI=1S/C9H16N2O/c1-3-9-10-7(2)8(11-9)5-4-6-12/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyNNJHPJYVFAKGJG-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.21
Rot. Bonds4

About 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol

3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol (PubChem CID 55265936) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol
PubChem CID55265936
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol
SMILESCCc1nc(CCCO)c(C)[nH]1
InChIInChI=1S/C9H16N2O/c1-3-9-10-7(2)8(11-9)5-4-6-12/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyNNJHPJYVFAKGJG-UHFFFAOYSA-N
XLogP1.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol?
The IUPAC name of 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol (CID 55265936) is 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol?
The canonical SMILES for 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol is CCc1nc(CCCO)c(C)[nH]1.
What is the InChIKey of 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol?
The InChIKey is NNJHPJYVFAKGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-9-10-7(2)8(11-9)5-4-6-12/h12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol?
3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methyl-1H-imidazol-4-yl)propan-1-ol is sourced from PubChem (CID 55265936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).