N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

C15H17N3 — CID 22401591

IUPACN-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCc1ccc2ccccc2c1NC1=NCCN1
InChIInChI=1S/C15H17N3/c1-2-11-7-8-12-5-3-4-6-13(12)14(11)18-15-16-9-10-17-15/h3-8H,2,9-10H2,1H3,(H2,16,17,18)
InChIKeyJXDLIFFNAMRLBU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.77
Rot. Bonds2

About N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 22401591) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID22401591
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCCc1ccc2ccccc2c1NC1=NCCN1
InChIInChI=1S/C15H17N3/c1-2-11-7-8-12-5-3-4-6-13(12)14(11)18-15-16-9-10-17-15/h3-8H,2,9-10H2,1H3,(H2,16,17,18)
InChIKeyJXDLIFFNAMRLBU-UHFFFAOYSA-N
XLogP2.77
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine (CID 22401591) is N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine is CCc1ccc2ccccc2c1NC1=NCCN1.
What is the InChIKey of N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JXDLIFFNAMRLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-11-7-8-12-5-3-4-6-13(12)14(11)18-15-16-9-10-17-15/h3-8H,2,9-10H2,1H3,(H2,16,17,18).
What are the key properties of N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylnaphthalen-1-yl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 22401591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).