5-(4-chlorophenyl)-1-dodecylimidazol-2-amine

C21H32ClN3 — CID 50941031

IUPAC5-(4-chlorophenyl)-1-dodecylimidazol-2-amine
SMILESCCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C21H32ClN3/c1-2-3-4-5-6-7-8-9-10-11-16-25-20(17-24-21(25)23)18-12-14-19(22)15-13-18/h12-15,17H,2-11,16H2,1H3,(H2,23,24)
InChIKeyYNGGHLZLOJRLBM-UHFFFAOYSA-N
MW361.96 g/mol
LogP6.71
Rot. Bonds12

About 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine

5-(4-chlorophenyl)-1-dodecylimidazol-2-amine (PubChem CID 50941031) has the molecular formula C21H32ClN3 and a molecular weight of 361.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-dodecylimidazol-2-amine
PubChem CID50941031
Molecular FormulaC21H32ClN3
Molecular Weight361.96 g/mol
Exact Mass361.23
IUPAC Name5-(4-chlorophenyl)-1-dodecylimidazol-2-amine
SMILESCCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N
InChIInChI=1S/C21H32ClN3/c1-2-3-4-5-6-7-8-9-10-11-16-25-20(17-24-21(25)23)18-12-14-19(22)15-13-18/h12-15,17H,2-11,16H2,1H3,(H2,23,24)
InChIKeyYNGGHLZLOJRLBM-UHFFFAOYSA-N
XLogP6.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Imidacloprid guanidine olefin
CID 9815679
4-(4-Chlorophenyl)Imidazole
CID 448632
Lofemizole
CID 71967
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
1-(4-Chlorobenzyl)-1H-benzimidazole
CID 853038
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
1-(4-chlorobenzyl)-1H-imidazole
CID 2779191
4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
CID 2766552
1-(4-Chlorophenylmethyl)-2-aminobenzimidazole
CID 743900
1-Methyl-5-phenyl-imidazol-2-amine
CID 1132927
5H-Imidazo(1,2-a)azepinium, 1-((2,4-dichlorophenyl)methyl)-6,7,8,9-tetrahydro-3-phenyl-, bromide
CID 11568649
1-Methyl-5-phenyl-1H-imidazole
CID 3746343

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine?
The IUPAC name of 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine (CID 50941031) is 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine?
The canonical SMILES for 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine is CCCCCCCCCCCCn1c(-c2ccc(Cl)cc2)cnc1N.
What is the InChIKey of 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine?
The InChIKey is YNGGHLZLOJRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3/c1-2-3-4-5-6-7-8-9-10-11-16-25-20(17-24-21(25)23)18-12-14-19(22)15-13-18/h12-15,17H,2-11,16H2,1H3,(H2,23,24).
What are the key properties of 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine?
5-(4-chlorophenyl)-1-dodecylimidazol-2-amine has a molecular weight of 361.96 g/mol, XLogP of 6.71, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-dodecylimidazol-2-amine is sourced from PubChem (CID 50941031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).