[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine

C17H15Cl2N3 — CID 82559625

IUPAC[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3/c18-15-6-5-14(9-16(15)19)17-21-7-8-22(17)11-13-3-1-12(10-20)2-4-13/h1-9H,10-11,20H2
InChIKeyAZCMQFWWBAOBBM-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.36
Rot. Bonds4

About [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82559625) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82559625
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2N3/c18-15-6-5-14(9-16(15)19)17-21-7-8-22(17)11-13-3-1-12(10-20)2-4-13/h1-9H,10-11,20H2
InChIKeyAZCMQFWWBAOBBM-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine (CID 82559625) is [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is AZCMQFWWBAOBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-15-6-5-14(9-16(15)19)17-21-7-8-22(17)11-13-3-1-12(10-20)2-4-13/h1-9H,10-11,20H2.
What are the key properties of [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 332.23 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82559625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).