5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole

C21H24Cl2N2 — CID 141021606

IUPAC5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole
SMILESClc1cccc(-c2ncc(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c1Cl
InChIInChI=1S/C21H24Cl2N2/c22-18-3-1-2-17(19(18)23)20-24-12-16(25-20)4-5-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-3,12-15H,4-11H2,(H,24,25)
InChIKeyICMIVSSHRODAAI-UHFFFAOYSA-N
MW375.34 g/mol
LogP6.53
Rot. Bonds4

About 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole

5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole (PubChem CID 141021606) has the molecular formula C21H24Cl2N2 and a molecular weight of 375.34 g/mol. Its IUPAC name is 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole
PubChem CID141021606
Molecular FormulaC21H24Cl2N2
Molecular Weight375.34 g/mol
Exact Mass374.13
IUPAC Name5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole
SMILESClc1cccc(-c2ncc(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c1Cl
InChIInChI=1S/C21H24Cl2N2/c22-18-3-1-2-17(19(18)23)20-24-12-16(25-20)4-5-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-3,12-15H,4-11H2,(H,24,25)
InChIKeyICMIVSSHRODAAI-UHFFFAOYSA-N
XLogP6.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.34
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-Chlorophenyl)histamine
CID 14827778
N1-[3-(3,4-Dichlorophenyl)-3-(pyridin-2-yl)-propyl]-N2-[3-(1H-imidazol-4-yl)propyl]-guanidine
CID 10094258
2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyrazine
CID 44345737
3-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345853
4-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345933
2-[5-(3,4-Dichloro-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345934
5-(3,4-dichlorophenyl)-N-pentyl-1H-imidazol-2-amine
CID 53302869
4-(4-chlorophenyl)-2-phenyl-1H-imidazole
CID 12143260
4-(3-chlorophenyl)-2-phenyl-1H-imidazole
CID 16723427
4-(4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10568528
4-[5-(3,4-Dichloro-phenyl)-2-phenyl-3H-imidazol-4-yl]-pyridine
CID 10595034
4-(4-(2-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10664281

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole?
The IUPAC name of 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole (CID 141021606) is 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole is Clc1cccc(-c2ncc(CCC34CC5CC(CC(C5)C3)C4)[nH]2)c1Cl.
What is the InChIKey of 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole?
The InChIKey is ICMIVSSHRODAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2/c22-18-3-1-2-17(19(18)23)20-24-12-16(25-20)4-5-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-3,12-15H,4-11H2,(H,24,25).
What are the key properties of 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole?
5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole has a molecular weight of 375.34 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-adamantyl)ethyl]-2-(2,3-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 141021606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).