2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole

C12H16N2 — CID 56935582

IUPAC2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILES[11CH3]c1ccccc1CCC1=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)/i1-1
InChIKeyMSVQQCPWZLKQQB-BJUDXGSMSA-N
MW187.27 g/mol
LogP1.93
Rot. Bonds3

About 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 56935582) has the molecular formula C12H16N2 and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID56935582
Molecular FormulaC12H16N2
Molecular Weight187.27 g/mol
Exact Mass187.14
IUPAC Name2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILES[11CH3]c1ccccc1CCC1=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)/i1-1
InChIKeyMSVQQCPWZLKQQB-BJUDXGSMSA-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 ≤ 500187.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
N-[2-(2-methylphenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601227
2-[(2-ethyl-6-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 24781717
2-[(2,5-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 58951819
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493434
2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 82289819
2-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
2-benzyl-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 23617938
2-(2-methylphenyl)ethylazanium chloride
CID 21115517
2-[2-[2-(2-bromo-5-methylphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 143153209

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 56935582) is 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is [11CH3]c1ccccc1CCC1=NCCN1.
What is the InChIKey of 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is MSVQQCPWZLKQQB-BJUDXGSMSA-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)/i1-1.
What are the key properties of 2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 187.27 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-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 56935582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).