N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide

C30H34N4O — CID 11554522

IUPACN-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H34N4O/c1-22(2)28(34(19-18-31)30(35)26-16-14-23(3)15-17-26)29-32-27(25-12-8-5-9-13-25)21-33(29)20-24-10-6-4-7-11-24/h4-17,21-22,28H,18-20,31H2,1-3H3/t28-/m1/s1
InChIKeyTYKUBRGCTAMIOI-MUUNZHRXSA-N
MW466.63 g/mol
LogP5.71
Rot. Bonds9

About N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide

N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (PubChem CID 11554522) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
PubChem CID11554522
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC NameN-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(CCN)[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1
InChIInChI=1S/C30H34N4O/c1-22(2)28(34(19-18-31)30(35)26-16-14-23(3)15-17-26)29-32-27(25-12-8-5-9-13-25)21-33(29)20-24-10-6-4-7-11-24/h4-17,21-22,28H,18-20,31H2,1-3H3/t28-/m1/s1
InChIKeyTYKUBRGCTAMIOI-MUUNZHRXSA-N
XLogP5.71
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methylbenzamide
CID 11541111
N-(3-aminopropyl)-N-[(1-benzyl-4-phenylimidazol-2-yl)-phenylmethyl]-4-methylbenzamide
CID 68813106
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
N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-N-[[(3R)-piperidin-3-yl]methyl]benzamide
CID 11706127
N-(3-amino-2-hydroxypropyl)-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76615921
N-[2-[(2-aminoacetyl)amino]ethyl]-N-[1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]benzamide
CID 76616019
N-(3-aminopropyl)-N-[(1R)-1-[1-benzyl-4-(3-methoxyphenyl)imidazol-2-yl]-2-methylpropyl]-2,4-difluorobenzamide
CID 11713506
2-[1-[3-aminopropyl-(4-methylbenzoyl)amino]-2-methylpropyl]-1-benzyl-4-methyl-6-oxopyrimidine-5-carboxamide
CID 69426709
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-5-(3,4-dimethylphenyl)-4-methyl-6-oxopyrimidin-2-yl]-2-methylpropyl]-4-methylbenzamide
CID 21076869

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide (CID 11554522) is N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide is Cc1ccc(C(=O)N(CCN)[C@@H](c2nc(-c3ccccc3)cn2Cc2ccccc2)C(C)C)cc1.
What is the InChIKey of N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
The InChIKey is TYKUBRGCTAMIOI-MUUNZHRXSA-N. The full InChI is InChI=1S/C30H34N4O/c1-22(2)28(34(19-18-31)30(35)26-16-14-23(3)15-17-26)29-32-27(25-12-8-5-9-13-25)21-33(29)20-24-10-6-4-7-11-24/h4-17,21-22,28H,18-20,31H2,1-3H3/t28-/m1/s1.
What are the key properties of N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide?
N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide has a molecular weight of 466.63 g/mol, XLogP of 5.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide is sourced from PubChem (CID 11554522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).