4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C22H24N4O2 — CID 91837733

IUPAC4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3c([nH]2)CN(CCCOc2ccccc2)CC3)cc1
InChIInChI=1S/C22H24N4O2/c23-21(27)16-7-9-17(10-8-16)22-24-19-11-13-26(15-20(19)25-22)12-4-14-28-18-5-2-1-3-6-18/h1-3,5-10H,4,11-15H2,(H2,23,27)(H,24,25)
InChIKeyXHZBDNHOPTYRTO-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.00
Rot. Bonds7

About 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 91837733) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID91837733
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3c([nH]2)CN(CCCOc2ccccc2)CC3)cc1
InChIInChI=1S/C22H24N4O2/c23-21(27)16-7-9-17(10-8-16)22-24-19-11-13-26(15-20(19)25-22)12-4-14-28-18-5-2-1-3-6-18/h1-3,5-10H,4,11-15H2,(H2,23,27)(H,24,25)
InChIKeyXHZBDNHOPTYRTO-UHFFFAOYSA-N
XLogP3.00
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 91837733) is 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is NC(=O)c1ccc(-c2nc3c([nH]2)CN(CCCOc2ccccc2)CC3)cc1.
What is the InChIKey of 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is XHZBDNHOPTYRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-21(27)16-7-9-17(10-8-16)22-24-19-11-13-26(15-20(19)25-22)12-4-14-28-18-5-2-1-3-6-18/h1-3,5-10H,4,11-15H2,(H2,23,27)(H,24,25).
What are the key properties of 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-phenoxypropyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 91837733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).