5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine

C18H21N3 — CID 43651211

IUPAC5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
SMILESNCCCCCc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C18H21N3/c19-12-5-1-2-11-18-20-13-17(21-18)16-10-6-8-14-7-3-4-9-15(14)16/h3-4,6-10,13H,1-2,5,11-12,19H2,(H,20,21)
InChIKeyGDWAZQQFNWCVDS-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.90
Rot. Bonds6

About 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine

5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine (PubChem CID 43651211) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
PubChem CID43651211
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
SMILESNCCCCCc1ncc(-c2cccc3ccccc23)[nH]1
InChIInChI=1S/C18H21N3/c19-12-5-1-2-11-18-20-13-17(21-18)16-10-6-8-14-7-3-4-9-15(14)16/h3-4,6-10,13H,1-2,5,11-12,19H2,(H,20,21)
InChIKeyGDWAZQQFNWCVDS-UHFFFAOYSA-N
XLogP3.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.90
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

6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651769
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)ethanethiol
CID 116879370
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-(5-naphthalen-1-yl-1H-imidazol-2-yl)acetonitrile
CID 116880096
5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651166
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934
5-naphthalen-1-yl-1H-imidazole-2-carbonitrile
CID 116879955
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
3-(3-naphthalen-1-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 55154678

Frequently Asked Questions

What is the IUPAC name of 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine?
The IUPAC name of 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine (CID 43651211) is 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine?
The canonical SMILES for 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine is NCCCCCc1ncc(-c2cccc3ccccc23)[nH]1.
What is the InChIKey of 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine?
The InChIKey is GDWAZQQFNWCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c19-12-5-1-2-11-18-20-13-17(21-18)16-10-6-8-14-7-3-4-9-15(14)16/h3-4,6-10,13H,1-2,5,11-12,19H2,(H,20,21).
What are the key properties of 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine?
5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 43651211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).