4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole

C21H24Cl2N2 — CID 173485850

IUPAC4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole
SMILESCCCCCCCn1c(-c2cc(C)cc3ccccc23)nc(Cl)c1Cl
InChIInChI=1S/C21H24Cl2N2/c1-3-4-5-6-9-12-25-20(23)19(22)24-21(25)18-14-15(2)13-16-10-7-8-11-17(16)18/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3
InChIKeyDAWYPNAKGPAASW-UHFFFAOYSA-N
MW375.34 g/mol
LogP7.29
Rot. Bonds7

About 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole

4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole (PubChem CID 173485850) has the molecular formula C21H24Cl2N2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole
PubChem CID173485850
Molecular FormulaC21H24Cl2N2
Molecular Weight375.34 g/mol
Exact Mass374.13
IUPAC Name4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole
SMILESCCCCCCCn1c(-c2cc(C)cc3ccccc23)nc(Cl)c1Cl
InChIInChI=1S/C21H24Cl2N2/c1-3-4-5-6-9-12-25-20(23)19(22)24-21(25)18-14-15(2)13-16-10-7-8-11-17(16)18/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3
InChIKeyDAWYPNAKGPAASW-UHFFFAOYSA-N
XLogP7.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)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-2-(3-methylnaphthalen-1-yl)-1-undecylimidazole;hydrobromide
CID 173485842
2-methylnaphthalene;3-methyl-9-octylcarbazole
CID 167681483
2-methyl-1-tetradecylindole
CID 19869962
32-hexyl-9,14,19,24-tetramethyl-32-azaoctacyclo[25.3.1.12,6.13,30.17,11.112,16.117,21.122,26]heptatriaconta-1(30),2,4,6(37),7(36),8,10,12(35),13,15,17,19,21(34),22,24,26(33),27(31),28-octadecaene
CID 51040792
2-(2-chlorophenyl)-1-heptylbenzimidazole
CID 18878773
9-hexadecylcarbazole
CID 4166588
9-docosylcarbazole
CID 10528568
1-hydroxy-2-pentylisoquinolin-3-one
CID 90765326
3-amino-2-pentylisoquinolin-1-one
CID 43162648
benzene;9-octylcarbazole
CID 175067369
heptane;phenanthrene
CID 157482146
3,11,19-trioctyl-3,11,19-triazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4,6,8,13,15,17-octaene
CID 132584282

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole?
The IUPAC name of 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole (CID 173485850) is 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole?
The canonical SMILES for 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole is CCCCCCCn1c(-c2cc(C)cc3ccccc23)nc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole?
The InChIKey is DAWYPNAKGPAASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2/c1-3-4-5-6-9-12-25-20(23)19(22)24-21(25)18-14-15(2)13-16-10-7-8-11-17(16)18/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3.
What are the key properties of 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole?
4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole has a molecular weight of 375.34 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-heptyl-2-(3-methylnaphthalen-1-yl)imidazole is sourced from PubChem (CID 173485850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).