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

C14H14N2 — CID 87180547

IUPAC2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole
SMILES[3H]C1CN=C(Cc2cccc3ccccc23)N1
InChIInChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)/i8T
InChIKeyCNIIGCLFLJGOGP-WTRHXODISA-N
MW212.29 g/mol
LogP2.38
Rot. Bonds2

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

2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole (PubChem CID 87180547) has the molecular formula C14H14N2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole
PubChem CID87180547
Molecular FormulaC14H14N2
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole
SMILES[3H]C1CN=C(Cc2cccc3ccccc23)N1
InChIInChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)/i8T
InChIKeyCNIIGCLFLJGOGP-WTRHXODISA-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 ≤ 500212.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 4436
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
CID 66760372
CID 66760372
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 67438328
5-(naphthalen-1-ylmethyl)-2H-tetrazole
CID 2988287
3-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 71495985
7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole
CID 169281050
1-naphthalen-1-yl-N,N-bis(trimethylsilyl)methanamine
CID 11779651
CID 57419547
CID 57419547
1-[(4-fluorophenyl)methyl]naphthalene
CID 11118033
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717
2-(naphthalen-1-ylmethyl)thiophene
CID 23454862

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole (CID 87180547) is 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole is [3H]C1CN=C(Cc2cccc3ccccc23)N1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole?
The InChIKey is CNIIGCLFLJGOGP-WTRHXODISA-N. The full InChI is InChI=1S/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-7H,8-10H2,(H,15,16)/i8T.
What are the key properties of 2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole?
2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole has a molecular weight of 212.29 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-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 87180547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).