3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole

C9H16N2 — CID 91189446

IUPAC3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole
SMILESC=C1N=CN(C(C)CC)C1C
InChIInChI=1S/C9H16N2/c1-5-7(2)11-6-10-8(3)9(11)4/h6-7,9H,3,5H2,1-2,4H3
InChIKeyDETYLKDPKSCAOM-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds2

About 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole

3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole (PubChem CID 91189446) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole.

Molecular Properties

Compound Name3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole
PubChem CID91189446
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole
SMILESC=C1N=CN(C(C)CC)C1C
InChIInChI=1S/C9H16N2/c1-5-7(2)11-6-10-8(3)9(11)4/h6-7,9H,3,5H2,1-2,4H3
InChIKeyDETYLKDPKSCAOM-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,4-trimethyl-5-methylidene-4H-imidazole
CID 54449972
2,4,4-Trimethyl-5-methylidene-1-propan-2-ylimidazole
CID 59917065
4,5-Dimethylidene-1-propan-2-ylimidazole
CID 123546523
5-methylidene-1-propan-2-yl-4H-imidazole
CID 169616088
1-Pent-2-en-3-yl-4,5-dihydroimidazole
CID 174729674
1-[(Z)-but-2-en-2-yl]-4,5-dihydroimidazole;ethane
CID 177314597
5-methylidene-3-propan-2-yl-4H-imidazole
CID 158509626
1-(4-Methylpent-1-en-2-yl)-4,5-dihydroimidazole
CID 164767486
1-(3-Methylbut-1-en-2-yl)-4,5-dihydroimidazole
CID 164767532

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole?
The IUPAC name of 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole (CID 91189446) is 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole.
What is the SMILES notation for 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole?
The canonical SMILES for 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole is C=C1N=CN(C(C)CC)C1C.
What is the InChIKey of 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole?
The InChIKey is DETYLKDPKSCAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)11-6-10-8(3)9(11)4/h6-7,9H,3,5H2,1-2,4H3.
What are the key properties of 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole?
3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-methyl-5-methylidene-4H-imidazole is sourced from PubChem (CID 91189446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).