1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine

C17H16Cl2N4 — CID 68705614

IUPAC1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1Cc1cccnc1
InChIInChI=1S/C17H16Cl2N4/c1-11(20)17-16(14-5-4-13(18)7-15(14)19)22-10-23(17)9-12-3-2-6-21-8-12/h2-8,10-11H,9,20H2,1H3
InChIKeyMWFCMYSKYPQDJH-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.32
Rot. Bonds4

About 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine

1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine (PubChem CID 68705614) has the molecular formula C17H16Cl2N4 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine
PubChem CID68705614
Molecular FormulaC17H16Cl2N4
Molecular Weight347.25 g/mol
Exact Mass346.08
IUPAC Name1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine
SMILESCC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1Cc1cccnc1
InChIInChI=1S/C17H16Cl2N4/c1-11(20)17-16(14-5-4-13(18)7-15(14)19)22-10-23(17)9-12-3-2-6-21-8-12/h2-8,10-11H,9,20H2,1H3
InChIKeyMWFCMYSKYPQDJH-UHFFFAOYSA-N
XLogP4.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine
CID 24765451
5-(2,4-dichlorophenyl)-3-(2-methylpropyl)imidazol-4-amine
CID 62019426
1-[3-[2-(cyclohexen-1-yl)ethyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 68711094
2-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylpropyl)pyridine;methanamine
CID 143520386
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-2-(pyridin-3-ylmethoxy)pyrimidine
CID 10003493
4-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 171989075
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
3-(2,4-dichlorophenyl)-4-phenylsulfanyl-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
CID 110568023
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
3-[(2,5-dichlorophenyl)methyl]pyridine
CID 102311529
[3-[(2-chloro-6-fluorophenyl)methyl]-5-(2,4-dichlorophenyl)imidazol-4-yl]methanamine
CID 24764792

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine?
The IUPAC name of 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine (CID 68705614) is 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine is CC(N)c1c(-c2ccc(Cl)cc2Cl)ncn1Cc1cccnc1.
What is the InChIKey of 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine?
The InChIKey is MWFCMYSKYPQDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4/c1-11(20)17-16(14-5-4-13(18)7-15(14)19)22-10-23(17)9-12-3-2-6-21-8-12/h2-8,10-11H,9,20H2,1H3.
What are the key properties of 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine?
1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine has a molecular weight of 347.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenyl)-3-(pyridin-3-ylmethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 68705614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).