(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole

C35H42N2O — CID 140723613

IUPAC(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
SMILESCc1cc(C2C(C)C(C)C(C)C2C)cc(C)c1C1=CN(c2c(C)ccc3c2oc2ccccc23)[C@H](C)N1C
InChIInChI=1S/C35H42N2O/c1-19-14-15-29-28-12-10-11-13-31(28)38-35(29)34(19)37-18-30(36(9)26(37)8)32-20(2)16-27(17-21(32)3)33-24(6)22(4)23(5)25(33)7/h10-18,22-26,33H,1-9H3/t22?,23?,24?,25?,26-,33?/m1/s1
InChIKeyVMTFSQIVUSIHFF-FWMNCGHESA-N
MW506.73 g/mol
LogP9.25
Rot. Bonds3

About (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole

(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole (PubChem CID 140723613) has the molecular formula C35H42N2O and a molecular weight of 506.73 g/mol. Its IUPAC name is (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole.

Molecular Properties

Compound Name(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
PubChem CID140723613
Molecular FormulaC35H42N2O
Molecular Weight506.73 g/mol
Exact Mass506.33
IUPAC Name(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole
SMILESCc1cc(C2C(C)C(C)C(C)C2C)cc(C)c1C1=CN(c2c(C)ccc3c2oc2ccccc23)[C@H](C)N1C
InChIInChI=1S/C35H42N2O/c1-19-14-15-29-28-12-10-11-13-31(28)38-35(29)34(19)37-18-30(36(9)26(37)8)32-20(2)16-27(17-21(32)3)33-24(6)22(4)23(5)25(33)7/h10-18,22-26,33H,1-9H3/t22?,23?,24?,25?,26-,33?/m1/s1
InChIKeyVMTFSQIVUSIHFF-FWMNCGHESA-N
XLogP9.25
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.73
LogP ≤ 59.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-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-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
The IUPAC name of (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole (CID 140723613) is (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole.
What is the SMILES notation for (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
The canonical SMILES for (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole is Cc1cc(C2C(C)C(C)C(C)C2C)cc(C)c1C1=CN(c2c(C)ccc3c2oc2ccccc23)[C@H](C)N1C.
What is the InChIKey of (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
The InChIKey is VMTFSQIVUSIHFF-FWMNCGHESA-N. The full InChI is InChI=1S/C35H42N2O/c1-19-14-15-29-28-12-10-11-13-31(28)38-35(29)34(19)37-18-30(36(9)26(37)8)32-20(2)16-27(17-21(32)3)33-24(6)22(4)23(5)25(33)7/h10-18,22-26,33H,1-9H3/t22?,23?,24?,25?,26-,33?/m1/s1.
What are the key properties of (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole?
(2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole has a molecular weight of 506.73 g/mol, XLogP of 9.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2,6-dimethyl-4-(2,3,4,5-tetramethylcyclopentyl)phenyl]-2,3-dimethyl-1-(3-methyldibenzofuran-4-yl)-2H-imidazole is sourced from PubChem (CID 140723613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).