(1-pentylimidazol-4-yl)methanol

C9H16N2O — CID 11147952

IUPAC(1-pentylimidazol-4-yl)methanol
SMILESCCCCCn1cnc(CO)c1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-11-6-9(7-12)10-8-11/h6,8,12H,2-5,7H2,1H3
InChIKeyJXZOKATUTIRQJI-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.57
Rot. Bonds5

About (1-pentylimidazol-4-yl)methanol

(1-pentylimidazol-4-yl)methanol (PubChem CID 11147952) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1-pentylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1-pentylimidazol-4-yl)methanol
PubChem CID11147952
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1-pentylimidazol-4-yl)methanol
SMILESCCCCCn1cnc(CO)c1
InChIInChI=1S/C9H16N2O/c1-2-3-4-5-11-6-9(7-12)10-8-11/h6,8,12H,2-5,7H2,1H3
InChIKeyJXZOKATUTIRQJI-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[4-(hydroxymethyl)imidazol-1-yl]pentan-1-ol
CID 106717483
ethane;4-ethyl-1-pentylimidazole
CID 142090904
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-4-yl]methanol
CID 106717261
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
2-(4-hexadecylimidazol-1-yl)ethanol
CID 175193401
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
6-[4-(hydroxymethyl)imidazol-1-yl]-2,2-dimethylhexanenitrile
CID 106717339
[1-(3,3-dimethylbutyl)imidazol-4-yl]methanol
CID 106717322
1-dodecylimidazol-4-amine
CID 10848375
6-[4-[2-(propylamino)ethyl]imidazol-1-yl]hexan-1-ol
CID 107706775
trimethyl-(1-octylimidazol-4-yl)azanium
CID 174760325

Frequently Asked Questions

What is the IUPAC name of (1-pentylimidazol-4-yl)methanol?
The IUPAC name of (1-pentylimidazol-4-yl)methanol (CID 11147952) is (1-pentylimidazol-4-yl)methanol.
What is the SMILES notation for (1-pentylimidazol-4-yl)methanol?
The canonical SMILES for (1-pentylimidazol-4-yl)methanol is CCCCCn1cnc(CO)c1.
What is the InChIKey of (1-pentylimidazol-4-yl)methanol?
The InChIKey is JXZOKATUTIRQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-5-11-6-9(7-12)10-8-11/h6,8,12H,2-5,7H2,1H3.
What are the key properties of (1-pentylimidazol-4-yl)methanol?
(1-pentylimidazol-4-yl)methanol has a molecular weight of 168.24 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentylimidazol-4-yl)methanol is sourced from PubChem (CID 11147952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).