3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole

C19H21ClN2 — CID 172696701

IUPAC3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole
SMILESCC(C)c1ccc(CN2C=CNC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2/c1-14(2)16-3-4-17(12-22-10-9-21-13-22)19(11-16)15-5-7-18(20)8-6-15/h3-11,14,21H,12-13H2,1-2H3
InChIKeyCKKAHBVMMYALCU-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.96
Rot. Bonds4

About 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole

3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole (PubChem CID 172696701) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole
PubChem CID172696701
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole
SMILESCC(C)c1ccc(CN2C=CNC2)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H21ClN2/c1-14(2)16-3-4-17(12-22-10-9-21-13-22)19(11-16)15-5-7-18(20)8-6-15/h3-11,14,21H,12-13H2,1-2H3
InChIKeyCKKAHBVMMYALCU-UHFFFAOYSA-N
XLogP4.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole?
The IUPAC name of 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole (CID 172696701) is 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole is CC(C)c1ccc(CN2C=CNC2)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole?
The InChIKey is CKKAHBVMMYALCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c1-14(2)16-3-4-17(12-22-10-9-21-13-22)19(11-16)15-5-7-18(20)8-6-15/h3-11,14,21H,12-13H2,1-2H3.
What are the key properties of 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole?
3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole has a molecular weight of 312.84 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-4-propan-2-ylphenyl]methyl]-1,2-dihydroimidazole is sourced from PubChem (CID 172696701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).