N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide

C35H44N4O — CID 11541111

IUPACN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(C)(C)CN(C)C)[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C35H44N4O/c1-26(2)32(39(25-35(4,5)24-37(6)7)34(40)30-20-18-27(3)19-21-30)33-36-31(29-16-12-9-13-17-29)23-38(33)22-28-14-10-8-11-15-28/h8-21,23,26,32H,22,24-25H2,1-7H3/t32-/m1/s1
InChIKeyYVIRSOGRWPIVTG-JGCGQSQUSA-N
MW536.76 g/mol
LogP7.33
Rot. Bonds11

About N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide

N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide (PubChem CID 11541111) has the molecular formula C35H44N4O and a molecular weight of 536.76 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
PubChem CID11541111
Molecular FormulaC35H44N4O
Molecular Weight536.76 g/mol
Exact Mass536.35
IUPAC NameN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CC(C)(C)CN(C)C)[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C35H44N4O/c1-26(2)32(39(25-35(4,5)24-37(6)7)34(40)30-20-18-27(3)19-21-30)33-36-31(29-16-12-9-13-17-29)23-38(33)22-28-14-10-8-11-15-28/h8-21,23,26,32H,22,24-25H2,1-7H3/t32-/m1/s1
InChIKeyYVIRSOGRWPIVTG-JGCGQSQUSA-N
XLogP7.33
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.76
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide 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 N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide?
The IUPAC name of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide (CID 11541111) is N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide.
What is the SMILES notation for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide?
The canonical SMILES for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CC(C)(C)CN(C)C)[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide?
The InChIKey is YVIRSOGRWPIVTG-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H44N4O/c1-26(2)32(39(25-35(4,5)24-37(6)7)34(40)30-20-18-27(3)19-21-30)33-36-31(29-16-12-9-13-17-29)23-38(33)22-28-14-10-8-11-15-28/h8-21,23,26,32H,22,24-25H2,1-7H3/t32-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide?
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide has a molecular weight of 536.76 g/mol, XLogP of 7.33, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide is sourced from PubChem (CID 11541111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).