N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide

C31H33F3N4O — CID 11519431

IUPACN-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2C(F)(F)F)cn1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1
InChIInChI=1S/C31H33F3N4O/c1-22(2)28(38(19-11-18-35)30(39)24-14-7-4-8-15-24)29-36-27(21-37(29)20-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31(32,33)34/h3-10,12-17,21-22,28H,11,18-20,35H2,1-2H3/t28-/m1/s1
InChIKeyCIVCFVQDNGFENY-MUUNZHRXSA-N
MW534.63 g/mol
LogP6.81
Rot. Bonds10

About N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide

N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide (PubChem CID 11519431) has the molecular formula C31H33F3N4O and a molecular weight of 534.63 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide
PubChem CID11519431
Molecular FormulaC31H33F3N4O
Molecular Weight534.63 g/mol
Exact Mass534.26
IUPAC NameN-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide
SMILESCC(C)[C@H](c1nc(-c2ccccc2C(F)(F)F)cn1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1
InChIInChI=1S/C31H33F3N4O/c1-22(2)28(38(19-11-18-35)30(39)24-14-7-4-8-15-24)29-36-27(21-37(29)20-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31(32,33)34/h3-10,12-17,21-22,28H,11,18-20,35H2,1-2H3/t28-/m1/s1
InChIKeyCIVCFVQDNGFENY-MUUNZHRXSA-N
XLogP6.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.63
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]benzamide
CID 73024551
N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
CID 11554522
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-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]-2,4-difluorobenzamide
CID 11713506
N-(3-aminopropyl)-N-[(1R)-1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-4-bromobenzamide
CID 11670841
N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide
CID 68813106
N-(3-aminopropyl)-N-[1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]-2-morpholin-4-ylacetamide
CID 76616028
methyl N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 76616089
morpholin-4-yl N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-chlorophenyl)imidazol-2-yl]-2-methylpropyl]carbamate
CID 67403434
N-(3-aminopropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]pyrrolidine-1-carboxamide
CID 73232700
N-(3-aminopropyl)-N-[1-(1-benzylbenzimidazol-2-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 68665367
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
CID 11541111

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide?
The IUPAC name of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide (CID 11519431) is N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide is CC(C)[C@H](c1nc(-c2ccccc2C(F)(F)F)cn1Cc1ccccc1)N(CCCN)C(=O)c1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide?
The InChIKey is CIVCFVQDNGFENY-MUUNZHRXSA-N. The full InChI is InChI=1S/C31H33F3N4O/c1-22(2)28(38(19-11-18-35)30(39)24-14-7-4-8-15-24)29-36-27(21-37(29)20-23-12-5-3-6-13-23)25-16-9-10-17-26(25)31(32,33)34/h3-10,12-17,21-22,28H,11,18-20,35H2,1-2H3/t28-/m1/s1.
What are the key properties of N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide?
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide has a molecular weight of 534.63 g/mol, XLogP of 6.81, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-[2-(trifluoromethyl)phenyl]imidazol-2-yl]-2-methylpropyl]benzamide is sourced from PubChem (CID 11519431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).