(2-heptyl-1H-imidazol-5-yl)methanol

C11H20N2O — CID 19815382

IUPAC(2-heptyl-1H-imidazol-5-yl)methanol
SMILESCCCCCCCc1ncc(CO)[nH]1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-6-7-11-12-8-10(9-14)13-11/h8,14H,2-7,9H2,1H3,(H,12,13)
InChIKeyKTVPBIDIHPIDOI-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.41
Rot. Bonds7

About (2-heptyl-1H-imidazol-5-yl)methanol

(2-heptyl-1H-imidazol-5-yl)methanol (PubChem CID 19815382) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2-heptyl-1H-imidazol-5-yl)methanol.

Molecular Properties

Compound Name(2-heptyl-1H-imidazol-5-yl)methanol
PubChem CID19815382
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2-heptyl-1H-imidazol-5-yl)methanol
SMILESCCCCCCCc1ncc(CO)[nH]1
InChIInChI=1S/C11H20N2O/c1-2-3-4-5-6-7-11-12-8-10(9-14)13-11/h8,14H,2-7,9H2,1H3,(H,12,13)
InChIKeyKTVPBIDIHPIDOI-UHFFFAOYSA-N
XLogP2.41
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-heptyl-1H-imidazol-5-yl)methanol?
The IUPAC name of (2-heptyl-1H-imidazol-5-yl)methanol (CID 19815382) is (2-heptyl-1H-imidazol-5-yl)methanol.
What is the SMILES notation for (2-heptyl-1H-imidazol-5-yl)methanol?
The canonical SMILES for (2-heptyl-1H-imidazol-5-yl)methanol is CCCCCCCc1ncc(CO)[nH]1.
What is the InChIKey of (2-heptyl-1H-imidazol-5-yl)methanol?
The InChIKey is KTVPBIDIHPIDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-2-3-4-5-6-7-11-12-8-10(9-14)13-11/h8,14H,2-7,9H2,1H3,(H,12,13).
What are the key properties of (2-heptyl-1H-imidazol-5-yl)methanol?
(2-heptyl-1H-imidazol-5-yl)methanol has a molecular weight of 196.29 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptyl-1H-imidazol-5-yl)methanol is sourced from PubChem (CID 19815382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).