2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide

C24H28N4O2 — CID 70183155

IUPAC2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
SMILESO=C(CC(Cc1cnc[nH]1)C(=O)NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H28N4O2/c29-23(26-13-11-19-7-3-1-4-8-19)16-21(15-22-17-25-18-28-22)24(30)27-14-12-20-9-5-2-6-10-20/h1-10,17-18,21H,11-16H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyGSQZHTWMGXXCGP-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.68
Rot. Bonds11

About 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide

2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide (PubChem CID 70183155) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
PubChem CID70183155
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide
SMILESO=C(CC(Cc1cnc[nH]1)C(=O)NCCc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C24H28N4O2/c29-23(26-13-11-19-7-3-1-4-8-19)16-21(15-22-17-25-18-28-22)24(30)27-14-12-20-9-5-2-6-10-20/h1-10,17-18,21H,11-16H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyGSQZHTWMGXXCGP-UHFFFAOYSA-N
XLogP2.68
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-amino-4-[[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]amino]-4-oxobutanoic acid
CID 67112441
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 54018973
N-[(2S)-1-[[(3S,4S)-3-hydroxy-6-methyl-1-(3-methylbutanoylamino)-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-N'-(2-phenylethyl)butanediamide
CID 70394493
(2R)-2-amino-N-[2-(4-fluorophenyl)ethyl]-3-(1H-imidazol-5-yl)propanamide
CID 156533963
(3S)-N-[3-(1H-imidazol-5-yl)propyl]-3-phenylbutanamide
CID 70244462
N-[2-(2-fluorophenyl)ethyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684086
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
(2S)-2-[[(2S)-2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoate
CID 7021872
methyl 2-(1H-imidazol-5-ylmethyl)-4-(methylamino)-4-oxobutanoate
CID 155139287

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide (CID 70183155) is 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide is O=C(CC(Cc1cnc[nH]1)C(=O)NCCc1ccccc1)NCCc1ccccc1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide?
The InChIKey is GSQZHTWMGXXCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c29-23(26-13-11-19-7-3-1-4-8-19)16-21(15-22-17-25-18-28-22)24(30)27-14-12-20-9-5-2-6-10-20/h1-10,17-18,21H,11-16H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide?
2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide has a molecular weight of 404.51 g/mol, XLogP of 2.68, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-N,N'-bis(2-phenylethyl)butanediamide is sourced from PubChem (CID 70183155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).