6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine

C17H16BrN3 — CID 81266001

IUPAC6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
SMILESBrc1ccc2cc(NCc3cncn3C3CC3)ccc2c1
InChIInChI=1S/C17H16BrN3/c18-14-3-1-13-8-15(4-2-12(13)7-14)20-10-17-9-19-11-21(17)16-5-6-16/h1-4,7-9,11,16,20H,5-6,10H2
InChIKeyDHNNLAQVVDOLED-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.75
Rot. Bonds4

About 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine

6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine (PubChem CID 81266001) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
PubChem CID81266001
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine
SMILESBrc1ccc2cc(NCc3cncn3C3CC3)ccc2c1
InChIInChI=1S/C17H16BrN3/c18-14-3-1-13-8-15(4-2-12(13)7-14)20-10-17-9-19-11-21(17)16-5-6-16/h1-4,7-9,11,16,20H,5-6,10H2
InChIKeyDHNNLAQVVDOLED-UHFFFAOYSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine?
The IUPAC name of 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine (CID 81266001) is 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine?
The canonical SMILES for 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine is Brc1ccc2cc(NCc3cncn3C3CC3)ccc2c1.
What is the InChIKey of 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine?
The InChIKey is DHNNLAQVVDOLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c18-14-3-1-13-8-15(4-2-12(13)7-14)20-10-17-9-19-11-21(17)16-5-6-16/h1-4,7-9,11,16,20H,5-6,10H2.
What are the key properties of 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine?
6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine has a molecular weight of 342.24 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-cyclopropylimidazol-4-yl)methyl]naphthalen-2-amine is sourced from PubChem (CID 81266001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).