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

C41H41Cl5N12 — CID 158408255

IUPACN-[(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
SMILESCC(Nc1ncc[nH]1)c1ccccc1.Clc1ccc(CNc2ncc[nH]2)cc1Cl.Clc1cccc(CNc2ncc[nH]2)c1.Clc1cccc(CNc2ncc[nH]2)c1Cl
InChIInChI=1S/C11H13N3.2C10H9Cl2N3.C10H10ClN3/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11;11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h2-9H,1H3,(H2,12,13,14);2*1-5H,6H2,(H2,13,14,15);1-6H,7H2,(H2,12,13,14)
InChIKeyGYYUWWBKBSEVFJ-UHFFFAOYSA-N
MW879.13 g/mol
LogP11.92
Rot. Bonds12

About 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

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 (PubChem CID 158408255) has the molecular formula C41H41Cl5N12 and a molecular weight of 879.13 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158408255
Molecular FormulaC41H41Cl5N12
Molecular Weight879.13 g/mol
Exact Mass876.20
IUPAC NameN-[(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
SMILESCC(Nc1ncc[nH]1)c1ccccc1.Clc1ccc(CNc2ncc[nH]2)cc1Cl.Clc1cccc(CNc2ncc[nH]2)c1.Clc1cccc(CNc2ncc[nH]2)c1Cl
InChIInChI=1S/C11H13N3.2C10H9Cl2N3.C10H10ClN3/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11;11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h2-9H,1H3,(H2,12,13,14);2*1-5H,6H2,(H2,13,14,15);1-6H,7H2,(H2,12,13,14)
InChIKeyGYYUWWBKBSEVFJ-UHFFFAOYSA-N
XLogP11.92
TPSA162.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500879.13
LogP ≤ 511.92
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-[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
N-[2-(1-benzylimidazol-2-yl)ethyl]-3,3-dimethylbut-1-en-2-amine;N-[2-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3,3-dimethylbut-1-en-2-amine;N-[2-[1-[(3-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3,3-dimethylbut-1-en-2-amine;N-[2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]ethyl]-3,3-dimethylbut-1-en-2-amine;3,3-dimethyl-N-[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]ethyl]but-1-en-2-amine;N-[2-(1H-imidazol-2-yl)ethyl]-3,3-dimethylbut-1-en-2-amine
CID 158684060
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
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
1-[(2-chlorophenyl)-diphenylmethyl]imidazole;1-chloro-2-(trichloromethyl)benzene;1H-imidazole
CID 164993025
CID 168321208
CID 168321208

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(Nc1ncc[nH]1)c1ccccc1.Clc1ccc(CNc2ncc[nH]2)cc1Cl.Clc1cccc(CNc2ncc[nH]2)c1.Clc1cccc(CNc2ncc[nH]2)c1Cl.
What is the InChIKey of 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?
The InChIKey is GYYUWWBKBSEVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2C10H9Cl2N3.C10H10ClN3/c1-9(10-5-3-2-4-6-10)14-11-12-7-8-13-11;11-8-2-1-7(5-9(8)12)6-15-10-13-3-4-14-10;11-8-3-1-2-7(9(8)12)6-15-10-13-4-5-14-10;11-9-3-1-2-8(6-9)7-14-10-12-4-5-13-10/h2-9H,1H3,(H2,12,13,14);2*1-5H,6H2,(H2,13,14,15);1-6H,7H2,(H2,12,13,14).
What are the key properties of 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?
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 has a molecular weight of 879.13 g/mol, XLogP of 11.92, 12 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158408255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).