N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine

C15H12Cl3N3S — CID 44579025

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine
SMILESClc1ccc(CN(Cc2ccc(Cl)s2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C15H12Cl3N3S/c16-12-2-1-11(14(17)7-12)8-21(20-6-5-19-10-20)9-13-3-4-15(18)22-13/h1-7,10H,8-9H2
InChIKeyBEEAEOAHTZJOBR-UHFFFAOYSA-N
MW372.71 g/mol
LogP5.24
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine

N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine (PubChem CID 44579025) has the molecular formula C15H12Cl3N3S and a molecular weight of 372.71 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine
PubChem CID44579025
Molecular FormulaC15H12Cl3N3S
Molecular Weight372.71 g/mol
Exact Mass370.98
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine
SMILESClc1ccc(CN(Cc2ccc(Cl)s2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C15H12Cl3N3S/c16-12-2-1-11(14(17)7-12)8-21(20-6-5-19-10-20)9-13-3-4-15(18)22-13/h1-7,10H,8-9H2
InChIKeyBEEAEOAHTZJOBR-UHFFFAOYSA-N
XLogP5.24
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.71
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine (CID 44579025) is N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine is Clc1ccc(CN(Cc2ccc(Cl)s2)n2ccnc2)c(Cl)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine?
The InChIKey is BEEAEOAHTZJOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3N3S/c16-12-2-1-11(14(17)7-12)8-21(20-6-5-19-10-20)9-13-3-4-15(18)22-13/h1-7,10H,8-9H2.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine?
N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine has a molecular weight of 372.71 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-[(2,4-dichlorophenyl)methyl]imidazol-1-amine is sourced from PubChem (CID 44579025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).