(2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole

C31H30N2O — CID 121429890

IUPAC(2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
SMILESCc1cc(C2=CC=CC2)cc(C)c1C1=CN(c2c(C)ccc3c2oc2ccccc23)[C@H](C)N1C
InChIInChI=1S/C31H30N2O/c1-19-14-15-26-25-12-8-9-13-28(25)34-31(26)30(19)33-18-27(32(5)22(33)4)29-20(2)16-24(17-21(29)3)23-10-6-7-11-23/h6-10,12-18,22H,11H2,1-5H3/t22-/m1/s1
InChIKeyPIFMXDBFRYBWAY-JOCHJYFZSA-N
MW446.59 g/mol
LogP7.95
Rot. Bonds3

About (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole

(2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole (PubChem CID 121429890) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole.

Molecular Properties

Compound Name(2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
PubChem CID121429890
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name(2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
SMILESCc1cc(C2=CC=CC2)cc(C)c1C1=CN(c2c(C)ccc3c2oc2ccccc23)[C@H](C)N1C
InChIInChI=1S/C31H30N2O/c1-19-14-15-26-25-12-8-9-13-28(25)34-31(26)30(19)33-18-27(32(5)22(33)4)29-20(2)16-24(17-21(29)3)23-10-6-7-11-23/h6-10,12-18,22H,11H2,1-5H3/t22-/m1/s1
InChIKeyPIFMXDBFRYBWAY-JOCHJYFZSA-N
XLogP7.95
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
The IUPAC name of (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole (CID 121429890) is (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole.
What is the SMILES notation for (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
The canonical SMILES for (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole is Cc1cc(C2=CC=CC2)cc(C)c1C1=CN(c2c(C)ccc3c2oc2ccccc23)[C@H](C)N1C.
What is the InChIKey of (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
The InChIKey is PIFMXDBFRYBWAY-JOCHJYFZSA-N. The full InChI is InChI=1S/C31H30N2O/c1-19-14-15-26-25-12-8-9-13-28(25)34-31(26)30(19)33-18-27(32(5)22(33)4)29-20(2)16-24(17-21(29)3)23-10-6-7-11-23/h6-10,12-18,22H,11H2,1-5H3/t22-/m1/s1.
What are the key properties of (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
(2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole has a molecular weight of 446.59 g/mol, XLogP of 7.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-cyclopenta-1,3-dien-1-yl-2,6-dimethylphenyl)-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole is sourced from PubChem (CID 121429890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).