1-butan-2-yl-2-propan-2-ylimidazole

C10H18N2 — CID 122705380

IUPAC1-butan-2-yl-2-propan-2-ylimidazole
SMILESCCC(C)n1ccnc1C(C)C
InChIInChI=1S/C10H18N2/c1-5-9(4)12-7-6-11-10(12)8(2)3/h6-9H,5H2,1-4H3
InChIKeyTVHRBAIGAZXGBN-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.98
Rot. Bonds3

About 1-butan-2-yl-2-propan-2-ylimidazole

1-butan-2-yl-2-propan-2-ylimidazole (PubChem CID 122705380) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-butan-2-yl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-butan-2-yl-2-propan-2-ylimidazole
PubChem CID122705380
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-butan-2-yl-2-propan-2-ylimidazole
SMILESCCC(C)n1ccnc1C(C)C
InChIInChI=1S/C10H18N2/c1-5-9(4)12-7-6-11-10(12)8(2)3/h6-9H,5H2,1-4H3
InChIKeyTVHRBAIGAZXGBN-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
(1-butan-2-ylimidazol-2-yl)methanol
CID 45088406
N-[2-(2-propan-2-ylimidazol-1-yl)propyl]cyclopropanamine
CID 62563884
ethyl 2-amino-2-methyl-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704252
2-methyl-4-(2-propan-2-ylimidazol-1-yl)-2-(propylamino)pentanamide
CID 64704254
N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine
CID 55138699
N-(3-methoxypropyl)-2-(2-propan-2-ylimidazol-1-yl)propan-1-amine
CID 62562131
methyl 2-methyl-2-(propan-2-ylamino)-4-(2-propan-2-ylimidazol-1-yl)pentanoate
CID 64704256
1-pentadecan-2-yl-2-undecan-3-ylimidazole
CID 69406601
2-hexan-3-yl-1-tridecan-2-ylimidazole
CID 69407860
1-heptadecan-2-yl-2-hexan-3-ylimidazole
CID 69408677
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-propan-2-ylimidazole?
The IUPAC name of 1-butan-2-yl-2-propan-2-ylimidazole (CID 122705380) is 1-butan-2-yl-2-propan-2-ylimidazole.
What is the SMILES notation for 1-butan-2-yl-2-propan-2-ylimidazole?
The canonical SMILES for 1-butan-2-yl-2-propan-2-ylimidazole is CCC(C)n1ccnc1C(C)C.
What is the InChIKey of 1-butan-2-yl-2-propan-2-ylimidazole?
The InChIKey is TVHRBAIGAZXGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-9(4)12-7-6-11-10(12)8(2)3/h6-9H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-2-propan-2-ylimidazole?
1-butan-2-yl-2-propan-2-ylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-propan-2-ylimidazole is sourced from PubChem (CID 122705380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).