(1-propylimidazol-2-yl)methanol

C7H12N2O — CID 557333

IUPAC(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1CO
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5,10H,2,4,6H2,1H3
InChIKeyGMYMEKBDZLQAAN-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.79
Rot. Bonds3

About (1-propylimidazol-2-yl)methanol

(1-propylimidazol-2-yl)methanol (PubChem CID 557333) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)methanol
PubChem CID557333
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1CO
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5,10H,2,4,6H2,1H3
InChIKeyGMYMEKBDZLQAAN-UHFFFAOYSA-N
XLogP0.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-Dimethyl-3-propylimidazolium Iodide
CID 11459786
1-Butyl-2-methyl-1H-imidazole
CID 304622
alpha-methyl-1H-imidazole-1-ethanol
CID 109233
4-(1H-imidazol-1-yl)butan-1-ol
CID 12803319
2-Methyl-1H-imidazole-1-ethanol
CID 74169
1-(2-Hydroxyethyl)-3-methylimidazolium tetrafluoroborate
CID 11344909
N-(2-Hydroxyethyl)imidazole
CID 74168
(1-methyl-1H-imidazol-2-yl)methanol
CID 573612
(1-ethyl-1H-imidazol-2-yl)methanol
CID 581042
1-(2-Hydroxyethyl)-2-methyl-5-aminoimidazole
CID 134701
1-Propylimidazole-2-carboxylic acid
CID 64137870
2-Aminomisonidazole
CID 127524

Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)methanol?
The IUPAC name of (1-propylimidazol-2-yl)methanol (CID 557333) is (1-propylimidazol-2-yl)methanol.
What is the SMILES notation for (1-propylimidazol-2-yl)methanol?
The canonical SMILES for (1-propylimidazol-2-yl)methanol is CCCn1ccnc1CO.
What is the InChIKey of (1-propylimidazol-2-yl)methanol?
The InChIKey is GMYMEKBDZLQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-4-9-5-3-8-7(9)6-10/h3,5,10H,2,4,6H2,1H3.
What are the key properties of (1-propylimidazol-2-yl)methanol?
(1-propylimidazol-2-yl)methanol has a molecular weight of 140.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 557333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).