1-methyl-5-[(2S)-2-methylbutyl]imidazole

C9H16N2 — CID 89173757

IUPAC1-methyl-5-[(2S)-2-methylbutyl]imidazole
SMILESCC[C@H](C)Cc1cncn1C
InChIInChI=1S/C9H16N2/c1-4-8(2)5-9-6-10-7-11(9)3/h6-8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyYEBIXNWYBBYSSX-QMMMGPOBSA-N
MW152.24 g/mol
LogP2.01
Rot. Bonds3

About 1-methyl-5-[(2S)-2-methylbutyl]imidazole

1-methyl-5-[(2S)-2-methylbutyl]imidazole (PubChem CID 89173757) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-methyl-5-[(2S)-2-methylbutyl]imidazole.

Molecular Properties

Compound Name1-methyl-5-[(2S)-2-methylbutyl]imidazole
PubChem CID89173757
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-methyl-5-[(2S)-2-methylbutyl]imidazole
SMILESCC[C@H](C)Cc1cncn1C
InChIInChI=1S/C9H16N2/c1-4-8(2)5-9-6-10-7-11(9)3/h6-8H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyYEBIXNWYBBYSSX-QMMMGPOBSA-N
XLogP2.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(2S)-2-methylbutyl]imidazole?
The IUPAC name of 1-methyl-5-[(2S)-2-methylbutyl]imidazole (CID 89173757) is 1-methyl-5-[(2S)-2-methylbutyl]imidazole.
What is the SMILES notation for 1-methyl-5-[(2S)-2-methylbutyl]imidazole?
The canonical SMILES for 1-methyl-5-[(2S)-2-methylbutyl]imidazole is CC[C@H](C)Cc1cncn1C.
What is the InChIKey of 1-methyl-5-[(2S)-2-methylbutyl]imidazole?
The InChIKey is YEBIXNWYBBYSSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8(2)5-9-6-10-7-11(9)3/h6-8H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of 1-methyl-5-[(2S)-2-methylbutyl]imidazole?
1-methyl-5-[(2S)-2-methylbutyl]imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(2S)-2-methylbutyl]imidazole is sourced from PubChem (CID 89173757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).