N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine

C44H49Cl2FN12 — CID 158079066

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine
SMILESCC(Nc1ncc[nH]1)c1cccc(Cl)c1Cl.Cc1cccc(CNc2ncc[nH]2)c1.Cc1ccccc1C(C)Nc1ncc[nH]1.Fc1cccc(CNc2ncc[nH]2)c1
InChIInChI=1S/C12H15N3.C11H11Cl2N3.C11H13N3.C10H10FN3/c1-9-5-3-4-6-11(9)10(2)15-12-13-7-8-14-12;1-7(16-11-14-5-6-15-11)8-3-2-4-9(12)10(8)13;1-9-3-2-4-10(7-9)8-14-11-12-5-6-13-11;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h3-8,10H,1-2H3,(H2,13,14,15);2-7H,1H3,(H2,14,15,16);2-7H,8H2,1H3,(H2,12,13,14);1-6H,7H2,(H2,12,13,14)
InChIKeyFMSNSKNDZYQMRP-UHFFFAOYSA-N
MW835.86 g/mol
LogP11.27
Rot. Bonds12

About N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine

N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine (PubChem CID 158079066) has the molecular formula C44H49Cl2FN12 and a molecular weight of 835.86 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine
PubChem CID158079066
Molecular FormulaC44H49Cl2FN12
Molecular Weight835.86 g/mol
Exact Mass834.36
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine
SMILESCC(Nc1ncc[nH]1)c1cccc(Cl)c1Cl.Cc1cccc(CNc2ncc[nH]2)c1.Cc1ccccc1C(C)Nc1ncc[nH]1.Fc1cccc(CNc2ncc[nH]2)c1
InChIInChI=1S/C12H15N3.C11H11Cl2N3.C11H13N3.C10H10FN3/c1-9-5-3-4-6-11(9)10(2)15-12-13-7-8-14-12;1-7(16-11-14-5-6-15-11)8-3-2-4-9(12)10(8)13;1-9-3-2-4-10(7-9)8-14-11-12-5-6-13-11;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h3-8,10H,1-2H3,(H2,13,14,15);2-7H,1H3,(H2,14,15,16);2-7H,8H2,1H3,(H2,12,13,14);1-6H,7H2,(H2,12,13,14)
InChIKeyFMSNSKNDZYQMRP-UHFFFAOYSA-N
XLogP11.27
TPSA162.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500835.86
LogP ≤ 511.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine with MolForge

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Related Compounds

5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[(3-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole;5-[(2-methylphenyl)-phenylmethyl]-1H-imidazole
CID 157412552
5-[(3-chloro-2-fluorophenyl)-phenylmethyl]-1H-imidazole;5-[(3-chloro-2-methylphenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dichlorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-difluorophenyl)-phenylmethyl]-1H-imidazole;5-[(2,3-dimethylphenyl)-phenylmethyl]-1H-imidazole;5-[[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethyl]-1H-imidazole
CID 159206675
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-(naphthalen-2-ylmethyl)-1H-imidazol-2-amine
CID 67184267
1-benzyl-2-[1-(2,3-dimethylphenyl)ethyl]imidazole;2-[1-(4-chloro-3-methylphenyl)ethyl]-1H-imidazole;2-[1-(2,5-dimethylphenyl)ethyl]-1H-imidazole;2-[1-(3,5-dimethylphenyl)ethyl]-1H-imidazole
CID 157178335
N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-(1-phenylethyl)-1H-imidazol-2-amine
CID 158408255
5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-difluorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;5-[1-(2-fluorophenyl)-2-phenylethyl]-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole
CID 158990998
N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine
CID 159687239
5-[(Z)-1-(3-chlorophenyl)-2-phenylethenyl]-1H-imidazole;5-[1-(2,3-dichlorophenyl)-2-phenylethyl]-1H-imidazole;5-[1-(2,3-dimethylphenyl)-2-phenylethyl]-1H-imidazole;5-(1,2-diphenylethyl)-1H-imidazole;4-[1-(1H-imidazol-5-yl)-2-phenylethyl]pyridine;5-[1-(2-methylphenyl)-2-phenylethyl]-1H-imidazole
CID 159924051
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine
CID 160597316
N-[(3-chlorophenyl)methyl]-1H-imidazol-2-amine;N-[(2,3-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3,4-dichlorophenyl)methyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine
CID 160658339
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-(naphthalen-2-ylmethyl)-1H-imidazol-2-amine
CID 161931468

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine (CID 158079066) is N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine is CC(Nc1ncc[nH]1)c1cccc(Cl)c1Cl.Cc1cccc(CNc2ncc[nH]2)c1.Cc1ccccc1C(C)Nc1ncc[nH]1.Fc1cccc(CNc2ncc[nH]2)c1.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine?
The InChIKey is FMSNSKNDZYQMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C11H11Cl2N3.C11H13N3.C10H10FN3/c1-9-5-3-4-6-11(9)10(2)15-12-13-7-8-14-12;1-7(16-11-14-5-6-15-11)8-3-2-4-9(12)10(8)13;1-9-3-2-4-10(7-9)8-14-11-12-5-6-13-11;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h3-8,10H,1-2H3,(H2,13,14,15);2-7H,1H3,(H2,14,15,16);2-7H,8H2,1H3,(H2,12,13,14);1-6H,7H2,(H2,12,13,14).
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine?
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine has a molecular weight of 835.86 g/mol, XLogP of 11.27, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[(3-fluorophenyl)methyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine;N-[(3-methylphenyl)methyl]-1H-imidazol-2-amine is sourced from PubChem (CID 158079066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).