2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole

C12H24N2 — CID 69393651

IUPAC2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCN1C=CN(C(C)C)C1C
InChIInChI=1S/C12H24N2/c1-5-6-7-8-13-9-10-14(11(2)3)12(13)4/h9-12H,5-8H2,1-4H3
InChIKeyPSBNMQIOZIOHKA-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.02
Rot. Bonds5

About 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole

2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole (PubChem CID 69393651) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole
PubChem CID69393651
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole
SMILESCCCCCN1C=CN(C(C)C)C1C
InChIInChI=1S/C12H24N2/c1-5-6-7-8-13-9-10-14(11(2)3)12(13)4/h9-12H,5-8H2,1-4H3
InChIKeyPSBNMQIOZIOHKA-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.02
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-Hexyl-3-methylimidazole
CID 18513318
1-Octyl-3-methyl imidazole
CID 21321822
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
2,3-Dimethyl-1-butylimidazole
CID 2782664
1,3-Diisopropyl-2,3-dihydro-1H-imidazole
CID 4961718
1-methyl-3-nonyl-2H-imidazole
CID 17865358
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-Decyl-3-methylimidazole
CID 18513308
1,2-Dimethyl-3-propylimidazole
CID 19358758
1,3-dibutyl-2H-imidazole
CID 21458258
1,2-Dimethyl-3 decylimidazole
CID 21567448

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole (CID 69393651) is 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole is CCCCCN1C=CN(C(C)C)C1C.
What is the InChIKey of 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole?
The InChIKey is PSBNMQIOZIOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-6-7-8-13-9-10-14(11(2)3)12(13)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole?
2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole has a molecular weight of 196.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 69393651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).