4-propan-2-yl-1-propylimidazole

C9H16N2 — CID 58213384

IUPAC4-propan-2-yl-1-propylimidazole
SMILESCCCn1cnc(C(C)C)c1
InChIInChI=1S/C9H16N2/c1-4-5-11-6-9(8(2)3)10-7-11/h6-8H,4-5H2,1-3H3
InChIKeyMPHKRJBUFFWIGY-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.42
Rot. Bonds3

About 4-propan-2-yl-1-propylimidazole

4-propan-2-yl-1-propylimidazole (PubChem CID 58213384) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-propan-2-yl-1-propylimidazole.

Molecular Properties

Compound Name4-propan-2-yl-1-propylimidazole
PubChem CID58213384
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-propan-2-yl-1-propylimidazole
SMILESCCCn1cnc(C(C)C)c1
InChIInChI=1S/C9H16N2/c1-4-5-11-6-9(8(2)3)10-7-11/h6-8H,4-5H2,1-3H3
InChIKeyMPHKRJBUFFWIGY-UHFFFAOYSA-N
XLogP2.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-propylimidazole?
The IUPAC name of 4-propan-2-yl-1-propylimidazole (CID 58213384) is 4-propan-2-yl-1-propylimidazole.
What is the SMILES notation for 4-propan-2-yl-1-propylimidazole?
The canonical SMILES for 4-propan-2-yl-1-propylimidazole is CCCn1cnc(C(C)C)c1.
What is the InChIKey of 4-propan-2-yl-1-propylimidazole?
The InChIKey is MPHKRJBUFFWIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-5-11-6-9(8(2)3)10-7-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 4-propan-2-yl-1-propylimidazole?
4-propan-2-yl-1-propylimidazole has a molecular weight of 152.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-propylimidazole is sourced from PubChem (CID 58213384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).