2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole

C17H17ClN2 — CID 170150906

IUPAC2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(CC2=NCCN2)c(Cc2ccccc2)c1
InChIInChI=1S/C17H17ClN2/c18-16-7-6-14(12-17-19-8-9-20-17)15(11-16)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,19,20)
InChIKeyHAGPSVLTVACWAQ-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.47
Rot. Bonds4

About 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 170150906) has the molecular formula C17H17ClN2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID170150906
Molecular FormulaC17H17ClN2
Molecular Weight284.79 g/mol
Exact Mass284.11
IUPAC Name2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(CC2=NCCN2)c(Cc2ccccc2)c1
InChIInChI=1S/C17H17ClN2/c18-16-7-6-14(12-17-19-8-9-20-17)15(11-16)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,19,20)
InChIKeyHAGPSVLTVACWAQ-UHFFFAOYSA-N
XLogP3.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole (CID 170150906) is 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole is Clc1ccc(CC2=NCCN2)c(Cc2ccccc2)c1.
What is the InChIKey of 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is HAGPSVLTVACWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2/c18-16-7-6-14(12-17-19-8-9-20-17)15(11-16)10-13-4-2-1-3-5-13/h1-7,11H,8-10,12H2,(H,19,20).
What are the key properties of 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 284.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-benzyl-4-chlorophenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 170150906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).