3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C20H18N4O3 — CID 122282732

IUPAC3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O3/c25-20(14-6-5-7-15(12-14)24(26)27)22-17-9-2-1-8-16(17)18-13-23-11-4-3-10-19(23)21-18/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,25)
InChIKeyONSOOLFJLHFGIB-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.05
Rot. Bonds4

About 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 122282732) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID122282732
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C20H18N4O3/c25-20(14-6-5-7-15(12-14)24(26)27)22-17-9-2-1-8-16(17)18-13-23-11-4-3-10-19(23)21-18/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,25)
InChIKeyONSOOLFJLHFGIB-UHFFFAOYSA-N
XLogP4.05
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 122282784
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2-methoxy-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
CID 121023247
1-acetyl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]piperidine-4-carboxamide
CID 122282894
5-hydroxy-2-[2-[(3-nitrobenzoyl)amino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434268
3-(3-methoxyphenyl)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1H-pyrazole-5-carboxamide
CID 122282874
2-(4-methylphenyl)-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 122282844
3-nitro-N-[3-[(3-nitrobenzoyl)amino]naphthalen-2-yl]benzamide
CID 4301788
5-pyridin-3-yl-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 122282988
N-(2-acetamidophenyl)-3-nitrobenzamide
CID 3509024
N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122282953
2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525812

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 122282732) is 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is ONSOOLFJLHFGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-20(14-6-5-7-15(12-14)24(26)27)22-17-9-2-1-8-16(17)18-13-23-11-4-3-10-19(23)21-18/h1-2,5-9,12-13H,3-4,10-11H2,(H,22,25).
What are the key properties of 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 122282732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).