1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine

C29H22ClN3O — CID 57327999

IUPAC1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine
SMILESNc1nc(Cc2ccc(-c3cccc4oc5ccccc5c34)cc2)cn1Cc1ccccc1Cl
InChIInChI=1S/C29H22ClN3O/c30-25-9-3-1-6-21(25)17-33-18-22(32-29(33)31)16-19-12-14-20(15-13-19)23-8-5-11-27-28(23)24-7-2-4-10-26(24)34-27/h1-15,18H,16-17H2,(H2,31,32)
InChIKeyQCDSOJKTGGQUQP-UHFFFAOYSA-N
MW463.97 g/mol
LogP7.32
Rot. Bonds5

About 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine

1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine (PubChem CID 57327999) has the molecular formula C29H22ClN3O and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine
PubChem CID57327999
Molecular FormulaC29H22ClN3O
Molecular Weight463.97 g/mol
Exact Mass463.15
IUPAC Name1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine
SMILESNc1nc(Cc2ccc(-c3cccc4oc5ccccc5c34)cc2)cn1Cc1ccccc1Cl
InChIInChI=1S/C29H22ClN3O/c30-25-9-3-1-6-21(25)17-33-18-22(32-29(33)31)16-19-12-14-20(15-13-19)23-8-5-11-27-28(23)24-7-2-4-10-26(24)34-27/h1-15,18H,16-17H2,(H2,31,32)
InChIKeyQCDSOJKTGGQUQP-UHFFFAOYSA-N
XLogP7.32
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine (CID 57327999) is 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine is Nc1nc(Cc2ccc(-c3cccc4oc5ccccc5c34)cc2)cn1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine?
The InChIKey is QCDSOJKTGGQUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClN3O/c30-25-9-3-1-6-21(25)17-33-18-22(32-29(33)31)16-19-12-14-20(15-13-19)23-8-5-11-27-28(23)24-7-2-4-10-26(24)34-27/h1-15,18H,16-17H2,(H2,31,32).
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine?
1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine has a molecular weight of 463.97 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-[(4-dibenzofuran-1-ylphenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 57327999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).