N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide

C31H36N4O2 — CID 76615921

IUPACN-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
SMILESCC(C)(C)C(c1nc(-c2ccccc2)cn1Cc1ccccc1)N(CC(O)CN)C(=O)c1ccccc1
InChIInChI=1S/C31H36N4O2/c1-31(2,3)28(35(21-26(36)19-32)30(37)25-17-11-6-12-18-25)29-33-27(24-15-9-5-10-16-24)22-34(29)20-23-13-7-4-8-14-23/h4-18,22,26,28,36H,19-21,32H2,1-3H3
InChIKeyWUPIMLLNSBEHCO-UHFFFAOYSA-N
MW496.66 g/mol
LogP5.15
Rot. Bonds9

About N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide

N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide (PubChem CID 76615921) has the molecular formula C31H36N4O2 and a molecular weight of 496.66 g/mol. Its IUPAC name is N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide.

Molecular Properties

Compound NameN-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
PubChem CID76615921
Molecular FormulaC31H36N4O2
Molecular Weight496.66 g/mol
Exact Mass496.28
IUPAC NameN-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
SMILESCC(C)(C)C(c1nc(-c2ccccc2)cn1Cc1ccccc1)N(CC(O)CN)C(=O)c1ccccc1
InChIInChI=1S/C31H36N4O2/c1-31(2,3)28(35(21-26(36)19-32)30(37)25-17-11-6-12-18-25)29-33-27(24-15-9-5-10-16-24)22-34(29)20-23-13-7-4-8-14-23/h4-18,22,26,28,36H,19-21,32H2,1-3H3
InChIKeyWUPIMLLNSBEHCO-UHFFFAOYSA-N
XLogP5.15
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.66
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2-aminoacetyl)amino]ethyl]-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76616019
1-(3-amino-2-fluoropropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3,3-dimethylurea
CID 73232875
1-(3-amino-2-fluoropropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-(2-hydroxyethyl)-3-methylurea
CID 73232412
N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
CID 73232700
(4-methylsulfonylpiperazin-1-yl) N-[(2R)-3-amino-2-fluoropropyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]carbamate
CID 67403529
(3R)-N-[(2S)-3-amino-2-fluoropropyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-hydroxypyrrolidine-1-carboxamide
CID 67403301
N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11554522
1-(3-aminopropyl)-1-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-3-thiophen-3-ylurea
CID 73232789
[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-[[(3S)-pyrrolidin-3-yl]methyl]carbamic acid
CID 163983172
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
CID 11541111
N-(3-amino-4-hydroxybutyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-(tetrazol-2-yl)acetamide
CID 76616075
N-[(2R)-3-amino-2-fluoropropyl]-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-4-butylsulfonylpiperazine-1-carboxamide;methane
CID 160954294

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide?
The IUPAC name of N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide (CID 76615921) is N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide.
What is the SMILES notation for N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide?
The canonical SMILES for N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide is CC(C)(C)C(c1nc(-c2ccccc2)cn1Cc1ccccc1)N(CC(O)CN)C(=O)c1ccccc1.
What is the InChIKey of N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide?
The InChIKey is WUPIMLLNSBEHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O2/c1-31(2,3)28(35(21-26(36)19-32)30(37)25-17-11-6-12-18-25)29-33-27(24-15-9-5-10-16-24)22-34(29)20-23-13-7-4-8-14-23/h4-18,22,26,28,36H,19-21,32H2,1-3H3.
What are the key properties of N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide?
N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide has a molecular weight of 496.66 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide is sourced from PubChem (CID 76615921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).