1-tert-butyl-3-propyl-2H-imidazole

C10H20N2 — CID 68778340

IUPAC1-tert-butyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2/c1-5-6-11-7-8-12(9-11)10(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyXMMSJJWWPTVPKY-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.24
Rot. Bonds2

About 1-tert-butyl-3-propyl-2H-imidazole

1-tert-butyl-3-propyl-2H-imidazole (PubChem CID 68778340) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-tert-butyl-3-propyl-2H-imidazole.

Molecular Properties

Compound Name1-tert-butyl-3-propyl-2H-imidazole
PubChem CID68778340
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-tert-butyl-3-propyl-2H-imidazole
SMILESCCCN1C=CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2/c1-5-6-11-7-8-12(9-11)10(2,3)4/h7-8H,5-6,9H2,1-4H3
InChIKeyXMMSJJWWPTVPKY-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-ethyl-2H-imidazole
CID 68780965
4-(3-tert-butyl-2H-imidazol-1-yl)butan-2-yl-trimethoxysilane
CID 90750754
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
1-pentyl-3-propyl-2H-imidazole;hydrochloride
CID 173025272
1-propyl-3-prop-1-ynyl-2H-imidazole;hydrobromide
CID 175523158
1-ethyl-3-propyl-2H-imidazole tetrafluoroborate
CID 174735420
1-hexyl-3-propyl-2H-imidazole;hydroiodide
CID 173007691
(2R)-1-(3-tert-butyl-2H-imidazol-1-yl)-2-phenylpropan-2-ol
CID 101382116
N-methyl-3-(3-propyl-2H-imidazol-1-yl)-N-[3-(3-propyl-2H-imidazol-1-yl)propyl]propan-1-amine
CID 174234273
iodic acid;1-methyl-3-propyl-2H-imidazole
CID 159990491
1-ethyl-3-(trifluoromethyl)-2H-imidazole
CID 66669616
1,3-dibutyl-2H-imidazole;hydrobromide
CID 170561230

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propyl-2H-imidazole?
The IUPAC name of 1-tert-butyl-3-propyl-2H-imidazole (CID 68778340) is 1-tert-butyl-3-propyl-2H-imidazole.
What is the SMILES notation for 1-tert-butyl-3-propyl-2H-imidazole?
The canonical SMILES for 1-tert-butyl-3-propyl-2H-imidazole is CCCN1C=CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-propyl-2H-imidazole?
The InChIKey is XMMSJJWWPTVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-11-7-8-12(9-11)10(2,3)4/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 1-tert-butyl-3-propyl-2H-imidazole?
1-tert-butyl-3-propyl-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propyl-2H-imidazole is sourced from PubChem (CID 68778340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).