4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole

C11H22N2 — CID 142423599

IUPAC4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole
SMILESCCCCC1=C(CCC)NC(C)N1
InChIInChI=1S/C11H22N2/c1-4-6-8-11-10(7-5-2)12-9(3)13-11/h9,12-13H,4-8H2,1-3H3
InChIKeyIQIBHUPLDYWLEY-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.73
Rot. Bonds5

About 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole

4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole (PubChem CID 142423599) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole
PubChem CID142423599
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole
SMILESCCCCC1=C(CCC)NC(C)N1
InChIInChI=1S/C11H22N2/c1-4-6-8-11-10(7-5-2)12-9(3)13-11/h9,12-13H,4-8H2,1-3H3
InChIKeyIQIBHUPLDYWLEY-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole (CID 142423599) is 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole is CCCCC1=C(CCC)NC(C)N1.
What is the InChIKey of 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole?
The InChIKey is IQIBHUPLDYWLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-6-8-11-10(7-5-2)12-9(3)13-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole?
4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-methyl-5-propyl-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 142423599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).