1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline

C18H23N3O — CID 175606393

IUPAC1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline
SMILESCCCc1ncc(C(O)CC)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H16N2O.C9H7N/c1-3-5-9-10-6-7(11-9)8(12)4-2;1-2-6-9-8(4-1)5-3-7-10-9/h6,8,12H,3-5H2,1-2H3,(H,10,11);1-7H
InChIKeyHFTAHHTTXFQSKF-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.04
Rot. Bonds4

About 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline

1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline (PubChem CID 175606393) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline.

Molecular Properties

Compound Name1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline
PubChem CID175606393
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline
SMILESCCCc1ncc(C(O)CC)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H16N2O.C9H7N/c1-3-5-9-10-6-7(11-9)8(12)4-2;1-2-6-9-8(4-1)5-3-7-10-9/h6,8,12H,3-5H2,1-2H3,(H,10,11);1-7H
InChIKeyHFTAHHTTXFQSKF-UHFFFAOYSA-N
XLogP4.04
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-1-ol;quinoline
CID 160910097
propan-2-ol;quinoline
CID 172685699
2,5-di(propan-2-yl)-1H-imidazole;quinoline;hydrochloride
CID 174910597
2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
CID 172709221
ethane;methanol;quinoline
CID 90686502
bis(2-methylpropane);quinoline
CID 159945466
quinoline
CID 76974643
2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline
CID 162245224
2,2-dimethyl-1-(2-propyl-1H-imidazol-5-yl)propan-1-ol
CID 150789348
quinoline;tetramethylsilane
CID 91292784
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158

Frequently Asked Questions

What is the IUPAC name of 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline?
The IUPAC name of 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline (CID 175606393) is 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline.
What is the SMILES notation for 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline?
The canonical SMILES for 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline is CCCc1ncc(C(O)CC)[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline?
The InChIKey is HFTAHHTTXFQSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C9H7N/c1-3-5-9-10-6-7(11-9)8(12)4-2;1-2-6-9-8(4-1)5-3-7-10-9/h6,8,12H,3-5H2,1-2H3,(H,10,11);1-7H.
What are the key properties of 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline?
1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline has a molecular weight of 297.40 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propyl-1H-imidazol-5-yl)propan-1-ol;quinoline is sourced from PubChem (CID 175606393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).