[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine

C17H16Cl2N4 — CID 24765451

IUPAC[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1cccnc1
InChIInChI=1S/C17H16Cl2N4/c18-13-3-4-14(15(19)8-13)17-16(9-20)23(11-22-17)7-5-12-2-1-6-21-10-12/h1-4,6,8,10-11H,5,7,9,20H2
InChIKeyFBEFHEVQSNZCMM-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.95
Rot. Bonds5

About [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine

[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine (PubChem CID 24765451) has the molecular formula C17H16Cl2N4 and a molecular weight of 347.25 g/mol. Its IUPAC name is [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine
PubChem CID24765451
Molecular FormulaC17H16Cl2N4
Molecular Weight347.25 g/mol
Exact Mass346.08
IUPAC Name[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine
SMILESNCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1cccnc1
InChIInChI=1S/C17H16Cl2N4/c18-13-3-4-14(15(19)8-13)17-16(9-20)23(11-22-17)7-5-12-2-1-6-21-10-12/h1-4,6,8,10-11H,5,7,9,20H2
InChIKeyFBEFHEVQSNZCMM-UHFFFAOYSA-N
XLogP3.95
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine?
The IUPAC name of [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine (CID 24765451) is [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine?
The canonical SMILES for [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine is NCc1c(-c2ccc(Cl)cc2Cl)ncn1CCc1cccnc1.
What is the InChIKey of [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine?
The InChIKey is FBEFHEVQSNZCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4/c18-13-3-4-14(15(19)8-13)17-16(9-20)23(11-22-17)7-5-12-2-1-6-21-10-12/h1-4,6,8,10-11H,5,7,9,20H2.
What are the key properties of [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine?
[5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine has a molecular weight of 347.25 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylethyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 24765451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).