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

C20H23ClN4 — CID 23562971

IUPAC3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine
SMILESClc1ccc(C(CCNCCCc2cnc[nH]2)c2ccccn2)cc1
InChIInChI=1S/C20H23ClN4/c21-17-8-6-16(7-9-17)19(20-5-1-2-12-24-20)10-13-22-11-3-4-18-14-23-15-25-18/h1-2,5-9,12,14-15,19,22H,3-4,10-11,13H2,(H,23,25)
InChIKeyJSFCRCOLLFTCQM-UHFFFAOYSA-N
MW354.88 g/mol
LogP4.20
Rot. Bonds9

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

3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine (PubChem CID 23562971) has the molecular formula C20H23ClN4 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine
PubChem CID23562971
Molecular FormulaC20H23ClN4
Molecular Weight354.88 g/mol
Exact Mass354.16
IUPAC Name3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine
SMILESClc1ccc(C(CCNCCCc2cnc[nH]2)c2ccccn2)cc1
InChIInChI=1S/C20H23ClN4/c21-17-8-6-16(7-9-17)19(20-5-1-2-12-24-20)10-13-22-11-3-4-18-14-23-15-25-18/h1-2,5-9,12,14-15,19,22H,3-4,10-11,13H2,(H,23,25)
InChIKeyJSFCRCOLLFTCQM-UHFFFAOYSA-N
XLogP4.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 54.20
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-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine (CID 23562971) is 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine is Clc1ccc(C(CCNCCCc2cnc[nH]2)c2ccccn2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine?
The InChIKey is JSFCRCOLLFTCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c21-17-8-6-16(7-9-17)19(20-5-1-2-12-24-20)10-13-22-11-3-4-18-14-23-15-25-18/h1-2,5-9,12,14-15,19,22H,3-4,10-11,13H2,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine?
3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine has a molecular weight of 354.88 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[3-(1H-imidazol-5-yl)propyl]-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 23562971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).