3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine

C18H21N3 — CID 65231002

IUPAC3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
SMILESCC(C)C(CN)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C18H21N3/c1-12(2)16(10-19)18-20-11-17(21-18)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,16H,10,19H2,1-2H3,(H,20,21)
InChIKeyJIPADCXGYNRLHN-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.93
Rot. Bonds4

About 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine

3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine (PubChem CID 65231002) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
PubChem CID65231002
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine
SMILESCC(C)C(CN)c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C18H21N3/c1-12(2)16(10-19)18-20-11-17(21-18)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,16H,10,19H2,1-2H3,(H,20,21)
InChIKeyJIPADCXGYNRLHN-UHFFFAOYSA-N
XLogP3.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine?
The IUPAC name of 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine (CID 65231002) is 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine is CC(C)C(CN)c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine?
The InChIKey is JIPADCXGYNRLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12(2)16(10-19)18-20-11-17(21-18)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11-12,16H,10,19H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine?
3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)butan-1-amine is sourced from PubChem (CID 65231002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).