N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide

C33H38N4O — CID 11706127

IUPACN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C[C@@H]1CCCNC1)C(=O)c1ccccc1
InChIInChI=1S/C33H38N4O/c1-25(2)31(37(23-27-15-12-20-34-21-27)33(38)29-18-10-5-11-19-29)32-35-30(28-16-8-4-9-17-28)24-36(32)22-26-13-6-3-7-14-26/h3-11,13-14,16-19,24-25,27,31,34H,12,15,20-23H2,1-2H3/t27-,31-/m1/s1
InChIKeyGHUUDYDSGKDASH-DLFZDVPBSA-N
MW506.69 g/mol
LogP6.44
Rot. Bonds9

About N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide

N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide (PubChem CID 11706127) has the molecular formula C33H38N4O and a molecular weight of 506.69 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
PubChem CID11706127
Molecular FormulaC33H38N4O
Molecular Weight506.69 g/mol
Exact Mass506.30
IUPAC NameN-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C[C@@H]1CCCNC1)C(=O)c1ccccc1
InChIInChI=1S/C33H38N4O/c1-25(2)31(37(23-27-15-12-20-34-21-27)33(38)29-18-10-5-11-19-29)32-35-30(28-16-8-4-9-17-28)24-36(32)22-26-13-6-3-7-14-26/h3-11,13-14,16-19,24-25,27,31,34H,12,15,20-23H2,1-2H3/t27-,31-/m1/s1
InChIKeyGHUUDYDSGKDASH-DLFZDVPBSA-N
XLogP6.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.69
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide with MolForge

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Related Compounds

[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-[[(3S)-pyrrolidin-3-yl]methyl]carbamic acid
CID 163983172
N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11554522
N-[(2R)-3-amino-2-fluoropropyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]piperazine-1-carboxamide
CID 71215407
N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]benzamide
CID 73024551
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-4-methoxybenzamide
CID 11699383
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide
CID 11519431
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-N-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-2-methylsulfonylpiperazine-1-carboxamide
CID 69022218
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
1-[(R)-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]-3-(1-hydroxypropan-2-yl)-1-(pyrrolidin-3-ylmethyl)urea
CID 90458509
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
The IUPAC name of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide (CID 11706127) is N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide is CC(C)[C@H](c1nc(-c2ccccc2)cn1Cc1ccccc1)N(C[C@@H]1CCCNC1)C(=O)c1ccccc1.
What is the InChIKey of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
The InChIKey is GHUUDYDSGKDASH-DLFZDVPBSA-N. The full InChI is InChI=1S/C33H38N4O/c1-25(2)31(37(23-27-15-12-20-34-21-27)33(38)29-18-10-5-11-19-29)32-35-30(28-16-8-4-9-17-28)24-36(32)22-26-13-6-3-7-14-26/h3-11,13-14,16-19,24-25,27,31,34H,12,15,20-23H2,1-2H3/t27-,31-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide?
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide has a molecular weight of 506.69 g/mol, XLogP of 6.44, 9 rotatable bonds, 1 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-[[(3R)-piperidin-3-yl]methyl]benzamide is sourced from PubChem (CID 11706127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).