2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole

C12H16N2 — CID 21366506

IUPAC2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccccc1CCC1=NCCN1
InChIInChI=1S/C12H16N2/c1-10-4-2-3-5-11(10)6-7-12-13-8-9-14-12/h2-5H,6-9H2,1H3,(H,13,14)
InChIKeyMSVQQCPWZLKQQB-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.93
Rot. Bonds3

About 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 21366506) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID21366506
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccccc1CCC1=NCCN1
InChIInChI=1S/C12H16N2/c1-10-4-2-3-5-11(10)6-7-12-13-8-9-14-12/h2-5H,6-9H2,1H3,(H,13,14)
InChIKeyMSVQQCPWZLKQQB-UHFFFAOYSA-N
XLogP1.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 21366506) is 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is Cc1ccccc1CCC1=NCCN1.
What is the InChIKey of 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MSVQQCPWZLKQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10-4-2-3-5-11(10)6-7-12-13-8-9-14-12/h2-5H,6-9H2,1H3,(H,13,14).
What are the key properties of 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 21366506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).