N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine

C17H20ClN5 — CID 46934405

IUPACN-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine
SMILESClc1ccc(CN(CCn2ccnc2)CCn2ccnc2)cc1
InChIInChI=1S/C17H20ClN5/c18-17-3-1-16(2-4-17)13-21(9-11-22-7-5-19-14-22)10-12-23-8-6-20-15-23/h1-8,14-15H,9-13H2
InChIKeyIGGHZAVPMJAWCV-UHFFFAOYSA-N
MW329.84 g/mol
LogP2.94
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine

N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine (PubChem CID 46934405) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine
PubChem CID46934405
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine
SMILESClc1ccc(CN(CCn2ccnc2)CCn2ccnc2)cc1
InChIInChI=1S/C17H20ClN5/c18-17-3-1-16(2-4-17)13-21(9-11-22-7-5-19-14-22)10-12-23-8-6-20-15-23/h1-8,14-15H,9-13H2
InChIKeyIGGHZAVPMJAWCV-UHFFFAOYSA-N
XLogP2.94
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine (CID 46934405) is N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine is Clc1ccc(CN(CCn2ccnc2)CCn2ccnc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine?
The InChIKey is IGGHZAVPMJAWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5/c18-17-3-1-16(2-4-17)13-21(9-11-22-7-5-19-14-22)10-12-23-8-6-20-15-23/h1-8,14-15H,9-13H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine?
N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine has a molecular weight of 329.84 g/mol, XLogP of 2.94, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-imidazol-1-yl-N-(2-imidazol-1-ylethyl)ethanamine is sourced from PubChem (CID 46934405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).