2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole

C26H27ClN2 — CID 141189854

IUPAC2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole
SMILESCCCCCCc1ccc(-c2cnc(-c3c(C)ccc4c(Cl)cccc34)[nH]2)cc1
InChIInChI=1S/C26H27ClN2/c1-3-4-5-6-8-19-12-14-20(15-13-19)24-17-28-26(29-24)25-18(2)11-16-21-22(25)9-7-10-23(21)27/h7,9-17H,3-6,8H2,1-2H3,(H,28,29)
InChIKeyBQHAUJOWLSGKJL-UHFFFAOYSA-N
MW402.97 g/mol
LogP7.98
Rot. Bonds7

About 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole

2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole (PubChem CID 141189854) has the molecular formula C26H27ClN2 and a molecular weight of 402.97 g/mol. Its IUPAC name is 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole
PubChem CID141189854
Molecular FormulaC26H27ClN2
Molecular Weight402.97 g/mol
Exact Mass402.19
IUPAC Name2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole
SMILESCCCCCCc1ccc(-c2cnc(-c3c(C)ccc4c(Cl)cccc34)[nH]2)cc1
InChIInChI=1S/C26H27ClN2/c1-3-4-5-6-8-19-12-14-20(15-13-19)24-17-28-26(29-24)25-18(2)11-16-21-22(25)9-7-10-23(21)27/h7,9-17H,3-6,8H2,1-2H3,(H,28,29)
InChIKeyBQHAUJOWLSGKJL-UHFFFAOYSA-N
XLogP7.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.97
LogP ≤ 57.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-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

5-(4-benzylphenyl)-2-(2-chloro-6-fluorophenyl)-1H-imidazole
CID 52941240
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-chloro-N-nonyl-3-(5-phenyl-1H-imidazol-2-yl)aniline
CID 162063457
9,10-bis(4-hexylphenyl)-2-phenylanthracene
CID 102232961
4-[10-[4-(4-dodecylphenyl)phenyl]anthracen-9-yl]phenol
CID 153328373
2,3-dichloro-5-(4-pentylphenyl)pyridine
CID 23190641
9,10-bis[9,10-bis(4-decylphenyl)anthracen-2-yl]-2-methyl-6-[4-(4-methylphenyl)phenyl]anthracene
CID 59101775
2-(4-butylphenyl)-5-(4-heptylphenyl)-1,3,4-thiadiazole
CID 101033956
2-(4-dodecylphenyl)-5-pentadecylpyrimidine
CID 139803541
5-hexyl-2-(4-nonylphenyl)pyrimidine
CID 14227569
5-tetradecyl-2-(4-tridecylphenyl)pyrimidine
CID 139803490
5-dodecyl-2-(4-hexylphenyl)pyrimidine
CID 139803450

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole?
The IUPAC name of 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole (CID 141189854) is 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole?
The canonical SMILES for 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole is CCCCCCc1ccc(-c2cnc(-c3c(C)ccc4c(Cl)cccc34)[nH]2)cc1.
What is the InChIKey of 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole?
The InChIKey is BQHAUJOWLSGKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2/c1-3-4-5-6-8-19-12-14-20(15-13-19)24-17-28-26(29-24)25-18(2)11-16-21-22(25)9-7-10-23(21)27/h7,9-17H,3-6,8H2,1-2H3,(H,28,29).
What are the key properties of 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole?
2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole has a molecular weight of 402.97 g/mol, XLogP of 7.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methylnaphthalen-1-yl)-5-(4-hexylphenyl)-1H-imidazole is sourced from PubChem (CID 141189854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).