2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole

C14H14N2 — CID 610682

IUPAC2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2cc(CC3=NCCN3)ccc2c1
InChIInChI=1S/C14H14N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-6,9H,7-8,10H2,(H,15,16)
InChIKeyVIXRKFBKWOHVBR-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.38
Rot. Bonds2

About 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole

2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 610682) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID610682
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2cc(CC3=NCCN3)ccc2c1
InChIInChI=1S/C14H14N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-6,9H,7-8,10H2,(H,15,16)
InChIKeyVIXRKFBKWOHVBR-UHFFFAOYSA-N
XLogP2.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole (CID 610682) is 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole is c1ccc2cc(CC3=NCCN3)ccc2c1.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is VIXRKFBKWOHVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-2-4-13-9-11(5-6-12(13)3-1)10-14-15-7-8-16-14/h1-6,9H,7-8,10H2,(H,15,16).
What are the key properties of 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole?
2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 210.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 610682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).