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

C23H26Cl2N6 — CID 160597316

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine
SMILESCC(Nc1ncc[nH]1)c1cccc(Cl)c1Cl.Cc1ccccc1C(C)Nc1ncc[nH]1
InChIInChI=1S/C12H15N3.C11H11Cl2N3/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/h3-8,10H,1-2H3,(H2,13,14,15);2-7H,1H3,(H2,14,15,16)
InChIKeyRDUMAIRTJKXOGM-UHFFFAOYSA-N
MW457.41 g/mol
LogP6.78
Rot. Bonds6

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

N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine (PubChem CID 160597316) has the molecular formula C23H26Cl2N6 and a molecular weight of 457.41 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine
PubChem CID160597316
Molecular FormulaC23H26Cl2N6
Molecular Weight457.41 g/mol
Exact Mass456.16
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine
SMILESCC(Nc1ncc[nH]1)c1cccc(Cl)c1Cl.Cc1ccccc1C(C)Nc1ncc[nH]1
InChIInChI=1S/C12H15N3.C11H11Cl2N3/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/h3-8,10H,1-2H3,(H2,13,14,15);2-7H,1H3,(H2,14,15,16)
InChIKeyRDUMAIRTJKXOGM-UHFFFAOYSA-N
XLogP6.78
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 56.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,4-dichlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 466006
1-[bis(4-chlorophenyl)(1H-imidazol-2-yl)methyl]-1H-imidazole
CID 44356877
2-(2-chlorophenyl)-2-imidazol-1-yl-N-(pyrrolidin-1-ylmethyl)ethanamine
CID 44419114
4-N-[(3,4-dichlorophenyl)methyl]-6-N-[2-(1H-imidazol-5-yl)ethyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 44533919
1-[[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-phenyl-methyl]imidazole
CID 465940
1-[(4-chlorophenyl)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 465941
1H-Imidazole, 1-((3,4-dichlorophenyl)(4-phenyl-1H-pyrrol-3-yl)methyl)-
CID 465981
1-[[4-(2-chlorophenyl)-1H-pyrrol-3-yl]-(3,4-dichlorophenyl)methyl]imidazole
CID 465989
1-[[4-(4-chlorophenyl)-1H-pyrrol-3-yl]-(3,4-dichlorophenyl)methyl]imidazole
CID 465997
1-[(3,4-dichlorophenyl)-[4-(2,4-dichlorophenyl)-1H-pyrrol-3-yl]methyl]imidazole
CID 466002
1-[[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(p-tolyl)methyl]imidazole
CID 466004
N-[(3-chloro-4-phenylphenyl)methyl]-2-(1H-imidazol-2-yl)ethanamine
CID 132281902

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine (CID 160597316) is N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine is CC(Nc1ncc[nH]1)c1cccc(Cl)c1Cl.Cc1ccccc1C(C)Nc1ncc[nH]1.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine?
The InChIKey is RDUMAIRTJKXOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C11H11Cl2N3/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/h3-8,10H,1-2H3,(H2,13,14,15);2-7H,1H3,(H2,14,15,16).
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine?
N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine has a molecular weight of 457.41 g/mol, XLogP of 6.78, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]-1H-imidazol-2-amine;N-[1-(2-methylphenyl)ethyl]-1H-imidazol-2-amine is sourced from PubChem (CID 160597316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).