1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole

C18H32N4 — CID 163475933

IUPAC1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
SMILESCC(C)c1cn(C(C)C)cn1.CC(C)c1nccn1C(C)C
InChIInChI=1S/2C9H16N2/c1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4/h2*5-8H,1-4H3
InChIKeyCAJPPRUBHVZUGO-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.17
Rot. Bonds4

About 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole

1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole (PubChem CID 163475933) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole.

Molecular Properties

Compound Name1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
PubChem CID163475933
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole
SMILESCC(C)c1cn(C(C)C)cn1.CC(C)c1nccn1C(C)C
InChIInChI=1S/2C9H16N2/c1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4/h2*5-8H,1-4H3
InChIKeyCAJPPRUBHVZUGO-UHFFFAOYSA-N
XLogP5.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-chloroethyl)-1-propan-2-ylimidazole
CID 71632944
1-butan-2-yl-2-propan-2-ylimidazole
CID 122705380
1-pentan-2-yl-2-propan-2-ylimidazole
CID 122705417
1-(1-phenylethyl)-4-propan-2-ylimidazole
CID 134380000
1-ethyl-4-propan-2-ylimidazole
CID 10057571
1-propan-2-yl-2-pyrazol-1-ylimidazole
CID 58415669
ethyl 2-amino-2-(1-propan-2-ylimidazol-2-yl)acetate
CID 83439070
N-tert-butyl-3-methyl-2-(2-propan-2-ylimidazol-1-yl)butan-1-amine
CID 55138699
phenyl-(1-propan-2-ylimidazol-2-yl)methanol
CID 83392922
N,N-dimethyl-2-(4-propan-2-ylimidazol-1-yl)propanamide
CID 134379970
2-dodecan-2-yl-1-propan-2-ylimidazole
CID 69408274
4-chloro-1-propan-2-ylimidazole
CID 118180272

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole?
The IUPAC name of 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole (CID 163475933) is 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole.
What is the SMILES notation for 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole?
The canonical SMILES for 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole is CC(C)c1cn(C(C)C)cn1.CC(C)c1nccn1C(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole?
The InChIKey is CAJPPRUBHVZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H16N2/c1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4/h2*5-8H,1-4H3.
What are the key properties of 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole?
1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole has a molecular weight of 304.48 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)imidazole is sourced from PubChem (CID 163475933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).