1,3-di(propan-2-yl)-2H-imidazole

C9H18N2 — CID 4961718

IUPAC1,3-di(propan-2-yl)-2H-imidazole
SMILESCC(C)N1C=CN(C(C)C)C1
InChIInChI=1S/C9H18N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyHHSNIRLXHJNXAK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.85
Rot. Bonds2

About 1,3-di(propan-2-yl)-2H-imidazole

1,3-di(propan-2-yl)-2H-imidazole (PubChem CID 4961718) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-2H-imidazole
PubChem CID4961718
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,3-di(propan-2-yl)-2H-imidazole
SMILESCC(C)N1C=CN(C(C)C)C1
InChIInChI=1S/C9H18N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyHHSNIRLXHJNXAK-UHFFFAOYSA-N
XLogP1.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 1,3-di(propan-2-yl)-2H-imidazole (CID 4961718) is 1,3-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 1,3-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 1,3-di(propan-2-yl)-2H-imidazole is CC(C)N1C=CN(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)-2H-imidazole?
The InChIKey is HHSNIRLXHJNXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)10-5-6-11(7-10)9(3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-2H-imidazole?
1,3-di(propan-2-yl)-2H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 4961718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).