ethane;5-methyl-2-phenyl-1H-imidazole

C14H22N2 — CID 145236732

IUPACethane;5-methyl-2-phenyl-1H-imidazole
SMILESCC.CC.Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2.2C2H6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;2*1-2/h2-7H,1H3,(H,11,12);2*1-2H3
InChIKeyFLGPNHCRSKUIQB-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.44
Rot. Bonds1

About ethane;5-methyl-2-phenyl-1H-imidazole

ethane;5-methyl-2-phenyl-1H-imidazole (PubChem CID 145236732) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;5-methyl-2-phenyl-1H-imidazole.

Molecular Properties

Compound Nameethane;5-methyl-2-phenyl-1H-imidazole
PubChem CID145236732
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Nameethane;5-methyl-2-phenyl-1H-imidazole
SMILESCC.CC.Cc1cnc(-c2ccccc2)[nH]1
InChIInChI=1S/C10H10N2.2C2H6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;2*1-2/h2-7H,1H3,(H,11,12);2*1-2H3
InChIKeyFLGPNHCRSKUIQB-UHFFFAOYSA-N
XLogP4.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-phenyl-1H-imidazole?
The IUPAC name of ethane;5-methyl-2-phenyl-1H-imidazole (CID 145236732) is ethane;5-methyl-2-phenyl-1H-imidazole.
What is the SMILES notation for ethane;5-methyl-2-phenyl-1H-imidazole?
The canonical SMILES for ethane;5-methyl-2-phenyl-1H-imidazole is CC.CC.Cc1cnc(-c2ccccc2)[nH]1.
What is the InChIKey of ethane;5-methyl-2-phenyl-1H-imidazole?
The InChIKey is FLGPNHCRSKUIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.2C2H6/c1-8-7-11-10(12-8)9-5-3-2-4-6-9;2*1-2/h2-7H,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;5-methyl-2-phenyl-1H-imidazole?
ethane;5-methyl-2-phenyl-1H-imidazole has a molecular weight of 218.34 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-phenyl-1H-imidazole is sourced from PubChem (CID 145236732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).