2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole

C10H20N2 — CID 146490523

IUPAC2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole
SMILESCCC(C)CCN1C=CNC1C
InChIInChI=1S/C10H20N2/c1-4-9(2)5-7-12-8-6-11-10(12)3/h6,8-11H,4-5,7H2,1-3H3
InChIKeyZLMZQRKHHIURQU-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.14
Rot. Bonds4

About 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole

2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole (PubChem CID 146490523) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole
PubChem CID146490523
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole
SMILESCCC(C)CCN1C=CNC1C
InChIInChI=1S/C10H20N2/c1-4-9(2)5-7-12-8-6-11-10(12)3/h6,8-11H,4-5,7H2,1-3H3
InChIKeyZLMZQRKHHIURQU-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole?
The IUPAC name of 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole (CID 146490523) is 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole.
What is the SMILES notation for 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole?
The canonical SMILES for 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole is CCC(C)CCN1C=CNC1C.
What is the InChIKey of 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole?
The InChIKey is ZLMZQRKHHIURQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-4-9(2)5-7-12-8-6-11-10(12)3/h6,8-11H,4-5,7H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole?
2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole has a molecular weight of 168.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpentyl)-1,2-dihydroimidazole is sourced from PubChem (CID 146490523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).