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

C16H17N3 — CID 60842671

IUPAC1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H17N3/c1-11(17)8-16-18-10-15(19-16)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9-11H,8,17H2,1H3,(H,18,19)
InChIKeyPPGFYLORUBPKLC-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.12
Rot. Bonds3

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

1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine (PubChem CID 60842671) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
PubChem CID60842671
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine
SMILESCC(N)Cc1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H17N3/c1-11(17)8-16-18-10-15(19-16)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9-11H,8,17H2,1H3,(H,18,19)
InChIKeyPPGFYLORUBPKLC-UHFFFAOYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine?
The IUPAC name of 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine (CID 60842671) is 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine is CC(N)Cc1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine?
The InChIKey is PPGFYLORUBPKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(17)8-16-18-10-15(19-16)14-7-6-12-4-2-3-5-13(12)9-14/h2-7,9-11H,8,17H2,1H3,(H,18,19).
What are the key properties of 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine?
1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-naphthalen-2-yl-1H-imidazol-2-yl)propan-2-amine is sourced from PubChem (CID 60842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).