4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine

C14H17N3 — CID 106569535

IUPAC4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine
SMILESCc1cn(C2CCc3ccccc3C2)c(N)n1
InChIInChI=1S/C14H17N3/c1-10-9-17(14(15)16-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H2,15,16)
InChIKeyVUJUDGHKHBKZQS-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.50
Rot. Bonds1

About 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine

4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine (PubChem CID 106569535) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine
PubChem CID106569535
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine
SMILESCc1cn(C2CCc3ccccc3C2)c(N)n1
InChIInChI=1S/C14H17N3/c1-10-9-17(14(15)16-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H2,15,16)
InChIKeyVUJUDGHKHBKZQS-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine (CID 106569535) is 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine is Cc1cn(C2CCc3ccccc3C2)c(N)n1.
What is the InChIKey of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine?
The InChIKey is VUJUDGHKHBKZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-9-17(14(15)16-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-5,9,13H,6-8H2,1H3,(H2,15,16).
What are the key properties of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine?
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine has a molecular weight of 227.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine is sourced from PubChem (CID 106569535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).