4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

C21H23ClN4O — CID 10762497

IUPAC4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESClc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1
InChIInChI=1S/C21H23ClN4O/c22-19-4-1-3-18(15-19)20-21(17-5-7-23-8-6-17)26(16-24-20)10-2-9-25-11-13-27-14-12-25/h1,3-8,15-16H,2,9-14H2
InChIKeyQADVIGAMUTUMMC-UHFFFAOYSA-N
MW382.90 g/mol
LogP3.99
Rot. Bonds6

About 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine

4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (PubChem CID 10762497) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
PubChem CID10762497
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine
SMILESClc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1
InChIInChI=1S/C21H23ClN4O/c22-19-4-1-3-18(15-19)20-21(17-5-7-23-8-6-17)26(16-24-20)10-2-9-25-11-13-27-14-12-25/h1,3-8,15-16H,2,9-14H2
InChIKeyQADVIGAMUTUMMC-UHFFFAOYSA-N
XLogP3.99
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine (CID 10762497) is 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is Clc1cccc(-c2ncn(CCCN3CCOCC3)c2-c2ccncc2)c1.
What is the InChIKey of 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
The InChIKey is QADVIGAMUTUMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-19-4-1-3-18(15-19)20-21(17-5-7-23-8-6-17)26(16-24-20)10-2-9-25-11-13-27-14-12-25/h1,3-8,15-16H,2,9-14H2.
What are the key properties of 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine?
4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine has a molecular weight of 382.90 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-chlorophenyl)-5-pyridin-4-ylimidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 10762497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).