1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride

C16H16Cl2N2 — CID 3042993

IUPAC1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride
SMILESCl.Clc1ccc(CN2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C16H15ClN2.ClH/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14;/h1-9H,10-12H2;1H
InChIKeyDTONCMFCDCNALK-UHFFFAOYSA-N
MW307.22 g/mol
LogP4.02
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride

1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride (PubChem CID 3042993) has the molecular formula C16H16Cl2N2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride
PubChem CID3042993
Molecular FormulaC16H16Cl2N2
Molecular Weight307.22 g/mol
Exact Mass306.07
IUPAC Name1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride
SMILESCl.Clc1ccc(CN2CCN=C2c2ccccc2)cc1
InChIInChI=1S/C16H15ClN2.ClH/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14;/h1-9H,10-12H2;1H
InChIKeyDTONCMFCDCNALK-UHFFFAOYSA-N
XLogP4.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride (CID 3042993) is 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride is Cl.Clc1ccc(CN2CCN=C2c2ccccc2)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride?
The InChIKey is DTONCMFCDCNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2.ClH/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14;/h1-9H,10-12H2;1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride?
1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-phenyl-4,5-dihydroimidazole;hydrochloride is sourced from PubChem (CID 3042993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).