ethane;1-methyl-2-phenylimidazole

C12H16N2 — CID 142155183

IUPACethane;1-methyl-2-phenylimidazole
SMILESCC.Cn1ccnc1-c1ccccc1
InChIInChI=1S/C10H10N2.C2H6/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2/h2-8H,1H3;1-2H3
InChIKeyNVDFXYYDNLASRM-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.11
Rot. Bonds1

About ethane;1-methyl-2-phenylimidazole

ethane;1-methyl-2-phenylimidazole (PubChem CID 142155183) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is ethane;1-methyl-2-phenylimidazole.

Molecular Properties

Compound Nameethane;1-methyl-2-phenylimidazole
PubChem CID142155183
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Nameethane;1-methyl-2-phenylimidazole
SMILESCC.Cn1ccnc1-c1ccccc1
InChIInChI=1S/C10H10N2.C2H6/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2/h2-8H,1H3;1-2H3
InChIKeyNVDFXYYDNLASRM-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-phenylimidazole?
The IUPAC name of ethane;1-methyl-2-phenylimidazole (CID 142155183) is ethane;1-methyl-2-phenylimidazole.
What is the SMILES notation for ethane;1-methyl-2-phenylimidazole?
The canonical SMILES for ethane;1-methyl-2-phenylimidazole is CC.Cn1ccnc1-c1ccccc1.
What is the InChIKey of ethane;1-methyl-2-phenylimidazole?
The InChIKey is NVDFXYYDNLASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c1-12-8-7-11-10(12)9-5-3-2-4-6-9;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-2-phenylimidazole?
ethane;1-methyl-2-phenylimidazole has a molecular weight of 188.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-phenylimidazole is sourced from PubChem (CID 142155183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).