3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide

C32H42N4O2 — CID 70867167

IUPAC3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide
SMILESCc1cc(C2=NCC(c3cncc4c3CCC(C)(C)C4)=N2)cc(C)c1CCC(=O)NCC(=O)CC(C)(C)C
InChIInChI=1S/C32H42N4O2/c1-20-12-22(13-21(2)25(20)8-9-29(38)34-17-24(37)15-31(3,4)5)30-35-19-28(36-30)27-18-33-16-23-14-32(6,7)11-10-26(23)27/h12-13,16,18H,8-11,14-15,17,19H2,1-7H3,(H,34,38)
InChIKeyJUVSCOUADSDZNX-UHFFFAOYSA-N
MW514.71 g/mol
LogP5.52
Rot. Bonds8

About 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide

3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide (PubChem CID 70867167) has the molecular formula C32H42N4O2 and a molecular weight of 514.71 g/mol. Its IUPAC name is 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide.

Molecular Properties

Compound Name3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide
PubChem CID70867167
Molecular FormulaC32H42N4O2
Molecular Weight514.71 g/mol
Exact Mass514.33
IUPAC Name3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide
SMILESCc1cc(C2=NCC(c3cncc4c3CCC(C)(C)C4)=N2)cc(C)c1CCC(=O)NCC(=O)CC(C)(C)C
InChIInChI=1S/C32H42N4O2/c1-20-12-22(13-21(2)25(20)8-9-29(38)34-17-24(37)15-31(3,4)5)30-35-19-28(36-30)27-18-33-16-23-14-32(6,7)11-10-26(23)27/h12-13,16,18H,8-11,14-15,17,19H2,1-7H3,(H,34,38)
InChIKeyJUVSCOUADSDZNX-UHFFFAOYSA-N
XLogP5.52
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide?
The IUPAC name of 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide (CID 70867167) is 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide.
What is the SMILES notation for 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide?
The canonical SMILES for 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide is Cc1cc(C2=NCC(c3cncc4c3CCC(C)(C)C4)=N2)cc(C)c1CCC(=O)NCC(=O)CC(C)(C)C.
What is the InChIKey of 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide?
The InChIKey is JUVSCOUADSDZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N4O2/c1-20-12-22(13-21(2)25(20)8-9-29(38)34-17-24(37)15-31(3,4)5)30-35-19-28(36-30)27-18-33-16-23-14-32(6,7)11-10-26(23)27/h12-13,16,18H,8-11,14-15,17,19H2,1-7H3,(H,34,38).
What are the key properties of 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide?
3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide has a molecular weight of 514.71 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-(7,7-dimethyl-6,8-dihydro-5H-isoquinolin-4-yl)-4H-imidazol-2-yl]-2,6-dimethylphenyl]-N-(4,4-dimethyl-2-oxopentyl)propanamide is sourced from PubChem (CID 70867167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).