5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

C14H15N3O — CID 142854085

IUPAC5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1ccc2c(C3CN=C(N)N3)cccc2c1
InChIInChI=1S/C14H15N3O/c1-18-10-5-6-11-9(7-10)3-2-4-12(11)13-8-16-14(15)17-13/h2-7,13H,8H2,1H3,(H3,15,16,17)
InChIKeyMLEVPYQKXXVMSV-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.81
Rot. Bonds2

About 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 142854085) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID142854085
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCOc1ccc2c(C3CN=C(N)N3)cccc2c1
InChIInChI=1S/C14H15N3O/c1-18-10-5-6-11-9(7-10)3-2-4-12(11)13-8-16-14(15)17-13/h2-7,13H,8H2,1H3,(H3,15,16,17)
InChIKeyMLEVPYQKXXVMSV-UHFFFAOYSA-N
XLogP1.81
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 142854085) is 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine is COc1ccc2c(C3CN=C(N)N3)cccc2c1.
What is the InChIKey of 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is MLEVPYQKXXVMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-10-5-6-11-9(7-10)3-2-4-12(11)13-8-16-14(15)17-13/h2-7,13H,8H2,1H3,(H3,15,16,17).
What are the key properties of 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 241.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxynaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 142854085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).