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

C11H13ClN2 — CID 122184447

IUPAC2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(Cl)cc1CC1=NCCN1
InChIInChI=1S/C11H13ClN2/c1-8-2-3-10(12)6-9(8)7-11-13-4-5-14-11/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyWLFCXQNQCSCLIX-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.19
Rot. Bonds2

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

2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 122184447) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID122184447
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(Cl)cc1CC1=NCCN1
InChIInChI=1S/C11H13ClN2/c1-8-2-3-10(12)6-9(8)7-11-13-4-5-14-11/h2-3,6H,4-5,7H2,1H3,(H,13,14)
InChIKeyWLFCXQNQCSCLIX-UHFFFAOYSA-N
XLogP2.19
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 122184447) is 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1ccc(Cl)cc1CC1=NCCN1.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WLFCXQNQCSCLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-8-2-3-10(12)6-9(8)7-11-13-4-5-14-11/h2-3,6H,4-5,7H2,1H3,(H,13,14).
What are the key properties of 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 208.69 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 122184447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).