5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen

C8H16N2 — CID 169266743

IUPAC5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
SMILESCCc1cnc(C(C)C)[nH]1.[H][H]
InChIInChI=1S/C8H14N2.H2/c1-4-7-5-9-8(10-7)6(2)3;/h5-6H,4H2,1-3H3,(H,9,10);1H
InChIKeyKVVCQHHMNORDRP-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.34
Rot. Bonds2

About 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen

5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen (PubChem CID 169266743) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen.

Molecular Properties

Compound Name5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
PubChem CID169266743
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen
SMILESCCc1cnc(C(C)C)[nH]1.[H][H]
InChIInChI=1S/C8H14N2.H2/c1-4-7-5-9-8(10-7)6(2)3;/h5-6H,4H2,1-3H3,(H,9,10);1H
InChIKeyKVVCQHHMNORDRP-UHFFFAOYSA-N
XLogP2.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-ethyl-1H-imidazol-2-yl)butan-1-amine
CID 116876985
5-ethyl-2-(2-methylpropyl)-1H-imidazole
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5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
CID 174154504
2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
(5-ethyl-1H-imidazol-2-yl)methanamine
CID 82235615
5-fluoro-2-propan-2-yl-1H-imidazole
CID 146392910
(2R)-1-[(5-ethyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
CID 100726062
3-(5-ethyl-1H-imidazol-2-yl)-2-methylpropanoic acid
CID 116878868
2-[(2,6-dimethylphenyl)methyl]-5-ethyl-1H-imidazole
CID 70555688
2-[2-(1-fluoroethyl)-1H-imidazol-5-yl]ethanamine
CID 84763864
2-propan-2-yl-1H-imidazole-5-carbothialdehyde
CID 45095924
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen?
The IUPAC name of 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen (CID 169266743) is 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen.
What is the SMILES notation for 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen?
The canonical SMILES for 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen is CCc1cnc(C(C)C)[nH]1.[H][H].
What is the InChIKey of 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen?
The InChIKey is KVVCQHHMNORDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.H2/c1-4-7-5-9-8(10-7)6(2)3;/h5-6H,4H2,1-3H3,(H,9,10);1H.
What are the key properties of 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen?
5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen has a molecular weight of 140.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propan-2-yl-1H-imidazole;molecular hydrogen is sourced from PubChem (CID 169266743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).