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

C25H26N4O3 — CID 57003425

IUPACN-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide
SMILESO=C(NCCNCC(O)COc1cccc2ccccc12)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C25H26N4O3/c30-21(17-32-23-7-3-5-18-4-1-2-6-22(18)23)16-26-12-13-29-25(31)20-10-8-19(9-11-20)24-27-14-15-28-24/h1-11,14-15,21,26,30H,12-13,16-17H2,(H,27,28)(H,29,31)
InChIKeyQRWKRPOGRDGEEN-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.99
Rot. Bonds10

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

N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide (PubChem CID 57003425) 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-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide
PubChem CID57003425
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide
SMILESO=C(NCCNCC(O)COc1cccc2ccccc12)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C25H26N4O3/c30-21(17-32-23-7-3-5-18-4-1-2-6-22(18)23)16-26-12-13-29-25(31)20-10-8-19(9-11-20)24-27-14-15-28-24/h1-11,14-15,21,26,30H,12-13,16-17H2,(H,27,28)(H,29,31)
InChIKeyQRWKRPOGRDGEEN-UHFFFAOYSA-N
XLogP2.99
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanal;propane
CID 155698850
methyl 3-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]propanoate
CID 15578577
4-(1H-imidazol-2-yl)-N-(2-thiophen-2-ylethyl)benzamide
CID 110690194
1-tert-butyl-N-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]pyrazole-4-carboxamide
CID 52521177
1-(3-aminopropylamino)-3-naphthalen-1-yloxypropan-2-ol;hydrochloride
CID 90672311
1-(2-benzhydryloxyethylamino)-3-naphthalen-1-yloxypropan-2-ol
CID 110193984
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23999726
N-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-1H-indole-2-carboxamide
CID 13064081
1-ethyl-3-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]urea
CID 95281049
N-[2-[1-[(2S)-2-hydroxy-3-naphthalen-1-yloxypropyl]benzimidazol-2-yl]ethyl]benzamide
CID 26025289
N-(2-hydroxy-3-naphthalen-1-yloxypropyl)ethanethioamide
CID 134858225
1-naphthalen-1-yloxy-3-(2,2,3,3,3-pentafluoropropylamino)propan-2-ol
CID 10066392

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide (CID 57003425) is N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide is O=C(NCCNCC(O)COc1cccc2ccccc12)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide?
The InChIKey is QRWKRPOGRDGEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-21(17-32-23-7-3-5-18-4-1-2-6-22(18)23)16-26-12-13-29-25(31)20-10-8-19(9-11-20)24-27-14-15-28-24/h1-11,14-15,21,26,30H,12-13,16-17H2,(H,27,28)(H,29,31).
What are the key properties of N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide?
N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide has a molecular weight of 430.51 g/mol, XLogP of 2.99, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 57003425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).