3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine

C19H21ClN4 — CID 23562970

IUPAC3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine
SMILESClc1ccc(C(CCNCCc2cnc[nH]2)c2ccccn2)cc1
InChIInChI=1S/C19H21ClN4/c20-16-6-4-15(5-7-16)18(19-3-1-2-10-23-19)9-12-21-11-8-17-13-22-14-24-17/h1-7,10,13-14,18,21H,8-9,11-12H2,(H,22,24)
InChIKeyZVNHZWIGMSZHHI-UHFFFAOYSA-N
MW340.86 g/mol
LogP3.81
Rot. Bonds8

About 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine

3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine (PubChem CID 23562970) has the molecular formula C19H21ClN4 and a molecular weight of 340.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine
PubChem CID23562970
Molecular FormulaC19H21ClN4
Molecular Weight340.86 g/mol
Exact Mass340.15
IUPAC Name3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine
SMILESClc1ccc(C(CCNCCc2cnc[nH]2)c2ccccn2)cc1
InChIInChI=1S/C19H21ClN4/c20-16-6-4-15(5-7-16)18(19-3-1-2-10-23-19)9-12-21-11-8-17-13-22-14-24-17/h1-7,10,13-14,18,21H,8-9,11-12H2,(H,22,24)
InChIKeyZVNHZWIGMSZHHI-UHFFFAOYSA-N
XLogP3.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine (CID 23562970) is 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine is Clc1ccc(C(CCNCCc2cnc[nH]2)c2ccccn2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine?
The InChIKey is ZVNHZWIGMSZHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4/c20-16-6-4-15(5-7-16)18(19-3-1-2-10-23-19)9-12-21-11-8-17-13-22-14-24-17/h1-7,10,13-14,18,21H,8-9,11-12H2,(H,22,24).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine?
3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine has a molecular weight of 340.86 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 23562970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).