5-(2,3-dimethylbutyl)-1H-imidazole

C9H16N2 — CID 149460105

IUPAC5-(2,3-dimethylbutyl)-1H-imidazole
SMILESCC(C)C(C)Cc1cnc[nH]1
InChIInChI=1S/C9H16N2/c1-7(2)8(3)4-9-5-10-6-11-9/h5-8H,4H2,1-3H3,(H,10,11)
InChIKeyYZINYQUNGZJSIP-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.24
Rot. Bonds3

About 5-(2,3-dimethylbutyl)-1H-imidazole

5-(2,3-dimethylbutyl)-1H-imidazole (PubChem CID 149460105) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-(2,3-dimethylbutyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,3-dimethylbutyl)-1H-imidazole
PubChem CID149460105
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-(2,3-dimethylbutyl)-1H-imidazole
SMILESCC(C)C(C)Cc1cnc[nH]1
InChIInChI=1S/C9H16N2/c1-7(2)8(3)4-9-5-10-6-11-9/h5-8H,4H2,1-3H3,(H,10,11)
InChIKeyYZINYQUNGZJSIP-UHFFFAOYSA-N
XLogP2.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
CID 153098059
3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
CID 59432002
CID 59432002
3-hydroxy-1-(1H-imidazol-5-yl)butan-2-one
CID 90739288
1-(1H-imidazol-5-yl)pentan-2-amine
CID 84752942
3-(1H-imidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 22084622
[1,1-dihydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-trimethylazanium
CID 140599544
(2S)-1-(1H-imidazol-5-yl)-3-methylbut-3-en-2-amine
CID 126613398
2-(1H-imidazol-5-ylmethyl)butanal
CID 121486226
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-3-methylbutanoic acid;hydrochloride
CID 174386105

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylbutyl)-1H-imidazole?
The IUPAC name of 5-(2,3-dimethylbutyl)-1H-imidazole (CID 149460105) is 5-(2,3-dimethylbutyl)-1H-imidazole.
What is the SMILES notation for 5-(2,3-dimethylbutyl)-1H-imidazole?
The canonical SMILES for 5-(2,3-dimethylbutyl)-1H-imidazole is CC(C)C(C)Cc1cnc[nH]1.
What is the InChIKey of 5-(2,3-dimethylbutyl)-1H-imidazole?
The InChIKey is YZINYQUNGZJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)8(3)4-9-5-10-6-11-9/h5-8H,4H2,1-3H3,(H,10,11).
What are the key properties of 5-(2,3-dimethylbutyl)-1H-imidazole?
5-(2,3-dimethylbutyl)-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylbutyl)-1H-imidazole is sourced from PubChem (CID 149460105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).