4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole

C19H22Cl2N2 — CID 123515469

IUPAC4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole
SMILESCCCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl
InChIInChI=1S/C19H22Cl2N2/c1-2-3-6-11-22-14-23(19(21)18(22)20)13-15-9-10-16-7-4-5-8-17(16)12-15/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3
InChIKeyJJGPWMKAHOFUTC-UHFFFAOYSA-N
MW349.31 g/mol
LogP5.71
Rot. Bonds6

About 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole

4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole (PubChem CID 123515469) has the molecular formula C19H22Cl2N2 and a molecular weight of 349.31 g/mol. Its IUPAC name is 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole
PubChem CID123515469
Molecular FormulaC19H22Cl2N2
Molecular Weight349.31 g/mol
Exact Mass348.12
IUPAC Name4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole
SMILESCCCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl
InChIInChI=1S/C19H22Cl2N2/c1-2-3-6-11-22-14-23(19(21)18(22)20)13-15-9-10-16-7-4-5-8-17(16)12-15/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3
InChIKeyJJGPWMKAHOFUTC-UHFFFAOYSA-N
XLogP5.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.31
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-nonyl-2H-imidazole
CID 123999338
5-[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]pentanoic acid
CID 123430379
4,5-dichloro-1,3-bis(2-naphthalen-2-ylethyl)-2H-imidazole
CID 123381713
2-[4-[[4,5-dichloro-3-(naphthalen-2-ylmethyl)-2H-imidazol-1-yl]methyl]phenoxy]acetic acid
CID 123845855
1-decyl-3-(2-naphthalen-2-ylethyl)-2H-benzo[f]benzimidazole-4,9-dione
CID 123724544
4,5-dichloro-1-methyl-3-(naphthalen-2-ylmethyl)-1,2-dihydroimidazol-1-ium iodide
CID 70982518
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
2-pentylnaphthalene;prop-1-ene
CID 173098363
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
4-naphthalen-2-ylbutyl nonyl carbonate
CID 102088379

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole?
The IUPAC name of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole (CID 123515469) is 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole.
What is the SMILES notation for 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole?
The canonical SMILES for 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole is CCCCCN1CN(Cc2ccc3ccccc3c2)C(Cl)=C1Cl.
What is the InChIKey of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole?
The InChIKey is JJGPWMKAHOFUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2/c1-2-3-6-11-22-14-23(19(21)18(22)20)13-15-9-10-16-7-4-5-8-17(16)12-15/h4-5,7-10,12H,2-3,6,11,13-14H2,1H3.
What are the key properties of 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole?
4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole has a molecular weight of 349.31 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(naphthalen-2-ylmethyl)-3-pentyl-2H-imidazole is sourced from PubChem (CID 123515469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).