1-methyl-3-propan-2-yl-2H-imidazole

C7H14N2 — CID 21461428

IUPAC1-methyl-3-propan-2-yl-2H-imidazole
SMILESCC(C)N1C=CN(C)C1
InChIInChI=1S/C7H14N2/c1-7(2)9-5-4-8(3)6-9/h4-5,7H,6H2,1-3H3
InChIKeyLSCCSMGIKOTYNM-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.07
Rot. Bonds1

About 1-methyl-3-propan-2-yl-2H-imidazole

1-methyl-3-propan-2-yl-2H-imidazole (PubChem CID 21461428) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-2H-imidazole
PubChem CID21461428
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name1-methyl-3-propan-2-yl-2H-imidazole
SMILESCC(C)N1C=CN(C)C1
InChIInChI=1S/C7H14N2/c1-7(2)9-5-4-8(3)6-9/h4-5,7H,6H2,1-3H3
InChIKeyLSCCSMGIKOTYNM-UHFFFAOYSA-N
XLogP1.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-methyl-3-propan-2-yl-2H-imidazole (CID 21461428) is 1-methyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-methyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-methyl-3-propan-2-yl-2H-imidazole is CC(C)N1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yl-2H-imidazole?
The InChIKey is LSCCSMGIKOTYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)9-5-4-8(3)6-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-2H-imidazole?
1-methyl-3-propan-2-yl-2H-imidazole has a molecular weight of 126.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 21461428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).