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

C14H14N2 — CID 4436

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IUPAC2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(CC3=NCCN3)cccc2c1
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)
InChIKeyCNIIGCLFLJGOGP-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.38
Rot. Bonds2

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

2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 4436) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID4436
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
SMILESc1ccc2c(CC3=NCCN3)cccc2c1
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)
InChIKeyCNIIGCLFLJGOGP-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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Related Compounds

2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
2-(naphthalen-1-ylmethyl)-5-tritio-4,5-dihydro-1H-imidazole
CID 87180547
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493434
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 67438328
2-(1-benzofuran-7-ylmethyl)-4,5-dihydro-1H-imidazole
CID 58951718
7-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indazole
CID 169281050
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)naphthalen-2-ol;hydrochloride
CID 66855717
2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
CID 10330581
2-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 68913933
butan-2-amine;2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 22493433
2-[(2-ethyl-6-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 24781717

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole (CID 4436) is 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole is c1ccc2c(CC3=NCCN3)cccc2c1.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is CNIIGCLFLJGOGP-UHFFFAOYSA-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).
What are the key properties of 2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole?
2-(naphthalen-1-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-1-ylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 4436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).