2-[(3R)-heptan-3-yl]-1H-imidazole

C10H18N2 — CID 129190322

IUPAC2-[(3R)-heptan-3-yl]-1H-imidazole
SMILESCCCC[C@@H](CC)c1ncc[nH]1
InChIInChI=1S/C10H18N2/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyFNQCCSOHFIPCKJ-SECBINFHSA-N
MW166.27 g/mol
LogP3.09
Rot. Bonds5

About 2-[(3R)-heptan-3-yl]-1H-imidazole

2-[(3R)-heptan-3-yl]-1H-imidazole (PubChem CID 129190322) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-[(3R)-heptan-3-yl]-1H-imidazole.

Molecular Properties

Compound Name2-[(3R)-heptan-3-yl]-1H-imidazole
PubChem CID129190322
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-[(3R)-heptan-3-yl]-1H-imidazole
SMILESCCCC[C@@H](CC)c1ncc[nH]1
InChIInChI=1S/C10H18N2/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyFNQCCSOHFIPCKJ-SECBINFHSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hexan-2-yl-1H-imidazole
CID 54215570
2-[7-(4-decylphenyl)octan-3-yl]-1H-imidazole
CID 57322626
2-[7-(2-fluoro-4-octoxyphenyl)octan-3-yl]-1H-imidazole
CID 57212384
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
2-(1-bromobutyl)-1H-imidazole
CID 19936731
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
N-hexan-2-yl-1H-imidazol-2-amine
CID 106569743
2-[2-(1H-imidazol-2-yl)undecoxycarbonyl]benzoic acid
CID 70432647
1-(1H-imidazol-2-yl)propan-1-ol;hydrochloride
CID 55254704
(2S)-2-amino-N-[1-(1H-imidazol-2-yl)ethyl]hexanamide
CID 107146607
2-(1H-imidazol-2-yl)pentanoic acid
CID 122588172
2-heptan-3-yl-1H-pyrrole
CID 151647430

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-heptan-3-yl]-1H-imidazole?
The IUPAC name of 2-[(3R)-heptan-3-yl]-1H-imidazole (CID 129190322) is 2-[(3R)-heptan-3-yl]-1H-imidazole.
What is the SMILES notation for 2-[(3R)-heptan-3-yl]-1H-imidazole?
The canonical SMILES for 2-[(3R)-heptan-3-yl]-1H-imidazole is CCCC[C@@H](CC)c1ncc[nH]1.
What is the InChIKey of 2-[(3R)-heptan-3-yl]-1H-imidazole?
The InChIKey is FNQCCSOHFIPCKJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-5-6-9(4-2)10-11-7-8-12-10/h7-9H,3-6H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of 2-[(3R)-heptan-3-yl]-1H-imidazole?
2-[(3R)-heptan-3-yl]-1H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-heptan-3-yl]-1H-imidazole is sourced from PubChem (CID 129190322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).