5-(2-methyl-2-propylhexyl)-1H-imidazole

C13H24N2 — CID 139423200

IUPAC5-(2-methyl-2-propylhexyl)-1H-imidazole
SMILESCCCCC(C)(CCC)Cc1cnc[nH]1
InChIInChI=1S/C13H24N2/c1-4-6-8-13(3,7-5-2)9-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyFVQDPOGGRWDNFY-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.95
Rot. Bonds7

About 5-(2-methyl-2-propylhexyl)-1H-imidazole

5-(2-methyl-2-propylhexyl)-1H-imidazole (PubChem CID 139423200) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-(2-methyl-2-propylhexyl)-1H-imidazole.

Molecular Properties

Compound Name5-(2-methyl-2-propylhexyl)-1H-imidazole
PubChem CID139423200
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-(2-methyl-2-propylhexyl)-1H-imidazole
SMILESCCCCC(C)(CCC)Cc1cnc[nH]1
InChIInChI=1S/C13H24N2/c1-4-6-8-13(3,7-5-2)9-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15)
InChIKeyFVQDPOGGRWDNFY-UHFFFAOYSA-N
XLogP3.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-hexyl-1H-imidazole
CID 14225142
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CID 166683864
[1-(1H-imidazol-5-yl)-2-methyl-3-oxobutan-2-yl]azanium
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2-(3-bromophenyl)-2-(1H-imidazol-5-ylmethyl)hexanenitrile
CID 21163993
5-(2-methyloctan-2-yl)-1H-imidazole
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5-ethyl-1H-imidazole;molecular hydrogen;propane
CID 153371786
4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
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N-(1H-imidazol-5-ylmethyl)-4-pentylaniline
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2-N-heptyl-4-(1H-imidazol-5-yl)but-1-ene-2,3-diamine
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CID 70485343

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-2-propylhexyl)-1H-imidazole?
The IUPAC name of 5-(2-methyl-2-propylhexyl)-1H-imidazole (CID 139423200) is 5-(2-methyl-2-propylhexyl)-1H-imidazole.
What is the SMILES notation for 5-(2-methyl-2-propylhexyl)-1H-imidazole?
The canonical SMILES for 5-(2-methyl-2-propylhexyl)-1H-imidazole is CCCCC(C)(CCC)Cc1cnc[nH]1.
What is the InChIKey of 5-(2-methyl-2-propylhexyl)-1H-imidazole?
The InChIKey is FVQDPOGGRWDNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-6-8-13(3,7-5-2)9-12-10-14-11-15-12/h10-11H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 5-(2-methyl-2-propylhexyl)-1H-imidazole?
5-(2-methyl-2-propylhexyl)-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-2-propylhexyl)-1H-imidazole is sourced from PubChem (CID 139423200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).