N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide

C25H26N4O3 — CID 14739882

IUPACN-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCNCC(O)COc1cccc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C25H26N4O3/c30-22(17-32-24-7-3-5-19-4-1-2-6-23(19)24)16-26-12-13-28-25(31)20-8-10-21(11-9-20)29-15-14-27-18-29/h1-11,14-15,18,22,26,30H,12-13,16-17H2,(H,28,31)
InChIKeyZXVYBVNQYMWTEB-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.78
Rot. Bonds10

About N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide

N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide (PubChem CID 14739882) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide
PubChem CID14739882
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide
SMILESO=C(NCCNCC(O)COc1cccc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C25H26N4O3/c30-22(17-32-24-7-3-5-19-4-1-2-6-23(19)24)16-26-12-13-28-25(31)20-8-10-21(11-9-20)29-15-14-27-18-29/h1-11,14-15,18,22,26,30H,12-13,16-17H2,(H,28,31)
InChIKeyZXVYBVNQYMWTEB-UHFFFAOYSA-N
XLogP2.78
TPSA88.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl]butyl]-4-(1H-imidazol-1-yl)benzamide
CID 42609932
2-(1-benzylimidazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]acetamide
CID 44219629
2-(1-benzylimidazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-N-methylacetamide
CID 44219630
2-(1-benzylimidazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]propyl]phenyl]acetamide
CID 44219641
N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-(1-phenylimidazol-2-yl)acetamide
CID 44574759
2-(1-benzylimidazol-4-yl)-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]acetamide
CID 44574826
N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-2-[1-(naphthalen-2-ylmethyl)imidazol-2-yl]acetamide
CID 44574868
2-(1-benzylimidazol-2-yl)-N-[4-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethyl]phenyl]-N-propylacetamide
CID 44574913
N-(3,3-diphenylpropyl)-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 72544408
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide
CID 18112923
N-[2-[[2-Hydroxy-3-(4-(2-methoxyethyl)phenoxy)propyl]amino]ethyl]-4-(1H-imidazol-1-yl)benzamide
CID 14739880
N-[2-[[2-Hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]-4-(1H-imidazol-1-yl)benzamide
CID 14739881

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide?
The IUPAC name of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide (CID 14739882) is N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide?
The canonical SMILES for N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide is O=C(NCCNCC(O)COc1cccc2ccccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide?
The InChIKey is ZXVYBVNQYMWTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-22(17-32-24-7-3-5-19-4-1-2-6-23(19)24)16-26-12-13-28-25(31)20-8-10-21(11-9-20)29-15-14-27-18-29/h1-11,14-15,18,22,26,30H,12-13,16-17H2,(H,28,31).
What are the key properties of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide?
N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide has a molecular weight of 430.51 g/mol, XLogP of 2.78, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide is sourced from PubChem (CID 14739882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).