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

C102H143Cl3N18 — CID 158684060

IUPACN-[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
SMILESC=C(NCCc1ncc[nH]1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccc(C)cc1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccc(Cl)cc1)C(C)(C)C.C=C(NCCc1nccn1Cc1cccc(Cl)c1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccccc1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C19H27N3.3C18H24ClN3.C18H25N3.C11H19N3/c1-15-6-8-17(9-7-15)14-22-13-12-21-18(22)10-11-20-16(2)19(3,4)5;1-14(18(2,3)4)20-10-9-17-21-11-12-22(17)13-15-5-7-16(19)8-6-15;1-14(18(2,3)4)20-9-8-17-21-10-11-22(17)13-15-6-5-7-16(19)12-15;1-14(18(2,3)4)20-10-9-17-21-11-12-22(17)13-15-7-5-6-8-16(15)19;1-15(18(2,3)4)19-11-10-17-20-12-13-21(17)14-16-8-6-5-7-9-16;1-9(11(2,3)4)12-6-5-10-13-7-8-14-10/h6-9,12-13,20H,2,10-11,14H2,1,3-5H3;5-8,11-12,20H,1,9-10,13H2,2-4H3;5-7,10-12,20H,1,8-9,13H2,2-4H3;5-8,11-12,20H,1,9-10,13H2,2-4H3;5-9,12-13,19H,1,10-11,14H2,2-4H3;7-8,12H,1,5-6H2,2-4H3,(H,13,14)
InChIKeyIFMVRINJJNYING-UHFFFAOYSA-N
MW1727.75 g/mol
LogP22.49
Rot. Bonds34

About 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

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 (PubChem CID 158684060) has the molecular formula C102H143Cl3N18 and a molecular weight of 1727.75 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID158684060
Molecular FormulaC102H143Cl3N18
Molecular Weight1727.75 g/mol
Exact Mass1725.08
IUPAC NameN-[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
SMILESC=C(NCCc1ncc[nH]1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccc(C)cc1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccc(Cl)cc1)C(C)(C)C.C=C(NCCc1nccn1Cc1cccc(Cl)c1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccccc1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccccc1Cl)C(C)(C)C
InChIInChI=1S/C19H27N3.3C18H24ClN3.C18H25N3.C11H19N3/c1-15-6-8-17(9-7-15)14-22-13-12-21-18(22)10-11-20-16(2)19(3,4)5;1-14(18(2,3)4)20-10-9-17-21-11-12-22(17)13-15-5-7-16(19)8-6-15;1-14(18(2,3)4)20-9-8-17-21-10-11-22(17)13-15-6-5-7-16(19)12-15;1-14(18(2,3)4)20-10-9-17-21-11-12-22(17)13-15-7-5-6-8-16(15)19;1-15(18(2,3)4)19-11-10-17-20-12-13-21(17)14-16-8-6-5-7-9-16;1-9(11(2,3)4)12-6-5-10-13-7-8-14-10/h6-9,12-13,20H,2,10-11,14H2,1,3-5H3;5-8,11-12,20H,1,9-10,13H2,2-4H3;5-7,10-12,20H,1,8-9,13H2,2-4H3;5-8,11-12,20H,1,9-10,13H2,2-4H3;5-9,12-13,19H,1,10-11,14H2,2-4H3;7-8,12H,1,5-6H2,2-4H3,(H,13,14)
InChIKeyIFMVRINJJNYING-UHFFFAOYSA-N
XLogP22.49
TPSA189.96 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds34
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001727.75
LogP ≤ 522.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

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
sodium;1-benzyl-3-[[4-[[3-[(4-ethylphenyl)methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;1-[[4-[[3-[[4-[(3-benzylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium-1-yl]methyl]phenyl]methyl]-3-[[2-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]methyl]imidazol-1-ium;1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazol-1-ium;1,2-bis(chloromethyl)benzene;bis(1,4-bis(chloromethyl)benzene);chloromethylbenzene;1-[[4-(chloromethyl)phenyl]methyl]-3-[[2-[[3-[[4-(chloromethyl)phenyl]methyl]imidazol-3-ium-1-yl]methyl]phenyl]methyl]imidazol-1-ium;hydride;1H-imidazole;1-[2-[2-(2-imidazol-1-ylethyl)phenyl]ethyl]imidazole;1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]imidazole;trihydrochloride
CID 158364077
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(NCCc1ncc[nH]1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccc(C)cc1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccc(Cl)cc1)C(C)(C)C.C=C(NCCc1nccn1Cc1cccc(Cl)c1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccccc1)C(C)(C)C.C=C(NCCc1nccn1Cc1ccccc1Cl)C(C)(C)C.
What is the InChIKey of 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?
The InChIKey is IFMVRINJJNYING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3.3C18H24ClN3.C18H25N3.C11H19N3/c1-15-6-8-17(9-7-15)14-22-13-12-21-18(22)10-11-20-16(2)19(3,4)5;1-14(18(2,3)4)20-10-9-17-21-11-12-22(17)13-15-5-7-16(19)8-6-15;1-14(18(2,3)4)20-9-8-17-21-10-11-22(17)13-15-6-5-7-16(19)12-15;1-14(18(2,3)4)20-10-9-17-21-11-12-22(17)13-15-7-5-6-8-16(15)19;1-15(18(2,3)4)19-11-10-17-20-12-13-21(17)14-16-8-6-5-7-9-16;1-9(11(2,3)4)12-6-5-10-13-7-8-14-10/h6-9,12-13,20H,2,10-11,14H2,1,3-5H3;5-8,11-12,20H,1,9-10,13H2,2-4H3;5-7,10-12,20H,1,8-9,13H2,2-4H3;5-8,11-12,20H,1,9-10,13H2,2-4H3;5-9,12-13,19H,1,10-11,14H2,2-4H3;7-8,12H,1,5-6H2,2-4H3,(H,13,14).
What are the key properties of 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?
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 has a molecular weight of 1727.75 g/mol, XLogP of 22.49, 34 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158684060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).