2-deuterio-1-pentylimidazole

C8H14N2 — CID 102490464

IUPAC2-deuterio-1-pentylimidazole
SMILES[2H]c1nccn1CCCCC
InChIInChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3/i8D
InChIKeyUPYVYJSWGZMBOU-BNEYPBHNSA-N
MW139.22 g/mol
LogP2.07
Rot. Bonds4

About 2-deuterio-1-pentylimidazole

2-deuterio-1-pentylimidazole (PubChem CID 102490464) has the molecular formula C8H14N2 and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-deuterio-1-pentylimidazole.

Molecular Properties

Compound Name2-deuterio-1-pentylimidazole
PubChem CID102490464
Molecular FormulaC8H14N2
Molecular Weight139.22 g/mol
Exact Mass139.12
IUPAC Name2-deuterio-1-pentylimidazole
SMILES[2H]c1nccn1CCCCC
InChIInChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3/i8D
InChIKeyUPYVYJSWGZMBOU-BNEYPBHNSA-N
XLogP2.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121
carbonic acid;1-dodecylimidazole
CID 175596781
fluoroboronic acid;bis(1-pentylimidazole)
CID 173201251
acetic acid;1-decylimidazole
CID 175546754
sodium;1-butylimidazole;bromide
CID 175480877
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
methyl dihydrogen phosphite;1-pentylimidazole
CID 174884184
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
1-[(5R)-5-methoxydecyl]imidazole
CID 118890185
1-ethylimidazole;octane
CID 145297576

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-1-pentylimidazole?
The IUPAC name of 2-deuterio-1-pentylimidazole (CID 102490464) is 2-deuterio-1-pentylimidazole.
What is the SMILES notation for 2-deuterio-1-pentylimidazole?
The canonical SMILES for 2-deuterio-1-pentylimidazole is [2H]c1nccn1CCCCC.
What is the InChIKey of 2-deuterio-1-pentylimidazole?
The InChIKey is UPYVYJSWGZMBOU-BNEYPBHNSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-3-4-6-10-7-5-9-8-10/h5,7-8H,2-4,6H2,1H3/i8D.
What are the key properties of 2-deuterio-1-pentylimidazole?
2-deuterio-1-pentylimidazole has a molecular weight of 139.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-1-pentylimidazole is sourced from PubChem (CID 102490464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).