2-(3-methylbutyl)-4,5-dihydro-1H-imidazole

C8H16N2 — CID 15454014

IUPAC2-(3-methylbutyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)CCC1=NCCN1
InChIInChI=1S/C8H16N2/c1-7(2)3-4-8-9-5-6-10-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyACKFOKKSGWRNAD-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.42
Rot. Bonds3

About 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole

2-(3-methylbutyl)-4,5-dihydro-1H-imidazole (PubChem CID 15454014) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-methylbutyl)-4,5-dihydro-1H-imidazole
PubChem CID15454014
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-(3-methylbutyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)CCC1=NCCN1
InChIInChI=1S/C8H16N2/c1-7(2)3-4-8-9-5-6-10-8/h7H,3-6H2,1-2H3,(H,9,10)
InChIKeyACKFOKKSGWRNAD-UHFFFAOYSA-N
XLogP1.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole (CID 15454014) is 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole is CC(C)CCC1=NCCN1.
What is the InChIKey of 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ACKFOKKSGWRNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)3-4-8-9-5-6-10-8/h7H,3-6H2,1-2H3,(H,9,10).
What are the key properties of 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole?
2-(3-methylbutyl)-4,5-dihydro-1H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 15454014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).