5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one

C20H19N3O2 — CID 139892033

IUPAC5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(OCCNCc3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C20H19N3O2/c24-20-22-18-9-8-16(12-19(18)23-20)25-11-10-21-13-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,12,21H,10-11,13H2,(H2,22,23,24)
InChIKeyFHQBBZFVKIIEGL-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.18
Rot. Bonds6

About 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one

5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one (PubChem CID 139892033) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one
PubChem CID139892033
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(OCCNCc3cccc4ccccc34)cc2[nH]1
InChIInChI=1S/C20H19N3O2/c24-20-22-18-9-8-16(12-19(18)23-20)25-11-10-21-13-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,12,21H,10-11,13H2,(H2,22,23,24)
InChIKeyFHQBBZFVKIIEGL-UHFFFAOYSA-N
XLogP3.18
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
N-(1H-indol-3-ylmethyl)-2-phenoxyethanamine
CID 60663580
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
CID 59694789
CID 59694789
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-1-naphthalen-1-ylmethanamine
CID 134084471
N-benzyl-2-[(3-methyl-2-phenyl-1H-indol-6-yl)oxy]ethanamine
CID 10291800
2-(4-methoxyphenyl)-N-(naphthalen-1-ylmethyl)ethanamine
CID 2063744
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid
CID 84675808
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N-benzyl-2-[(6-methoxy-9H-carbazol-2-yl)oxy]ethanamine
CID 10132371
2-[2-(naphthalen-1-ylmethylamino)ethoxy]-6-nitroaniline
CID 23291448

Frequently Asked Questions

What is the IUPAC name of 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one (CID 139892033) is 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(OCCNCc3cccc4ccccc34)cc2[nH]1.
What is the InChIKey of 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FHQBBZFVKIIEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20-22-18-9-8-16(12-19(18)23-20)25-11-10-21-13-15-6-3-5-14-4-1-2-7-17(14)15/h1-9,12,21H,10-11,13H2,(H2,22,23,24).
What are the key properties of 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one?
5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(naphthalen-1-ylmethylamino)ethoxy]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 139892033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).