2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine

C16H17N3 — CID 65230734

IUPAC2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
SMILESc1ccc2cc(CNCCc3cnc[nH]3)ccc2c1
InChIInChI=1S/C16H17N3/c1-2-4-15-9-13(5-6-14(15)3-1)10-17-8-7-16-11-18-12-19-16/h1-6,9,11-12,17H,7-8,10H2,(H,18,19)
InChIKeyRUBMMCRDFSOIBY-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.90
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine

2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine (PubChem CID 65230734) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
PubChem CID65230734
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine
SMILESc1ccc2cc(CNCCc3cnc[nH]3)ccc2c1
InChIInChI=1S/C16H17N3/c1-2-4-15-9-13(5-6-14(15)3-1)10-17-8-7-16-11-18-12-19-16/h1-6,9,11-12,17H,7-8,10H2,(H,18,19)
InChIKeyRUBMMCRDFSOIBY-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 64988312
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
2-(1H-imidazol-5-yl)-N-(isoquinolin-4-ylmethyl)ethanamine
CID 104503928
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 65232443
3-[[2-(1H-imidazol-5-yl)ethylamino]methyl]benzamide
CID 65232486
2-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 64988759
2-(1H-imidazol-5-yl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 114936779
N-[(4-fluorophenyl)methyl]-2-naphthalen-2-ylethanamine
CID 174517762
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
2-[4-[[2-(1H-imidazol-5-yl)ethylamino]methyl]phenoxy]acetamide
CID 64988514
N'-(naphthalen-2-ylmethyl)-N-[2-(naphthalen-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 11741534
6-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075635

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine (CID 65230734) is 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine is c1ccc2cc(CNCCc3cnc[nH]3)ccc2c1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
The InChIKey is RUBMMCRDFSOIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-4-15-9-13(5-6-14(15)3-1)10-17-8-7-16-11-18-12-19-16/h1-6,9,11-12,17H,7-8,10H2,(H,18,19).
What are the key properties of 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine?
2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-(naphthalen-2-ylmethyl)ethanamine is sourced from PubChem (CID 65230734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).