2-methyl-5-propan-2-yl-1H-imidazole

C7H12N2 — CID 11126255

IUPAC2-methyl-5-propan-2-yl-1H-imidazole
SMILESCc1ncc(C(C)C)[nH]1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5H,1-3H3,(H,8,9)
InChIKeyFWNOUILZZKVNQJ-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.84
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1H-imidazole

2-methyl-5-propan-2-yl-1H-imidazole (PubChem CID 11126255) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1H-imidazole
PubChem CID11126255
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methyl-5-propan-2-yl-1H-imidazole
SMILESCc1ncc(C(C)C)[nH]1
InChIInChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5H,1-3H3,(H,8,9)
InChIKeyFWNOUILZZKVNQJ-UHFFFAOYSA-N
XLogP1.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
2-Ethyl-4-methylimidazole
CID 70262
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168
2,4-Dimethylimidazole
CID 70259

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-methyl-5-propan-2-yl-1H-imidazole (CID 11126255) is 2-methyl-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-methyl-5-propan-2-yl-1H-imidazole is Cc1ncc(C(C)C)[nH]1.
What is the InChIKey of 2-methyl-5-propan-2-yl-1H-imidazole?
The InChIKey is FWNOUILZZKVNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-4-8-6(3)9-7/h4-5H,1-3H3,(H,8,9).
What are the key properties of 2-methyl-5-propan-2-yl-1H-imidazole?
2-methyl-5-propan-2-yl-1H-imidazole has a molecular weight of 124.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 11126255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).