2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C20H18N4O3 — CID 60525812

IUPAC2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O3/c25-20(16-5-1-2-6-18(16)24(26)27)21-15-10-8-14(9-11-15)17-13-23-12-4-3-7-19(23)22-17/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,21,25)
InChIKeyRUQQGMUDHRLVEC-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.05
Rot. Bonds4

About 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 60525812) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID60525812
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H18N4O3/c25-20(16-5-1-2-6-18(16)24(26)27)21-15-10-8-14(9-11-15)17-13-23-12-4-3-7-19(23)22-17/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,21,25)
InChIKeyRUQQGMUDHRLVEC-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

N-[2-[[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 55885204
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CID 60525474
4-(phenylsulfamoyl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
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CID 3254217
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CID 3096329
2-nitro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
CID 925691
1-propan-2-yl-3-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075859
2-(1,3-dioxoisoindol-2-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 55886358
2-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 5181244
2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
3-amino-3-phenyl-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide;dihydrochloride
CID 119953344
N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]formamide
CID 168652444

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 60525812) is 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is RUQQGMUDHRLVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-20(16-5-1-2-6-18(16)24(26)27)21-15-10-8-14(9-11-15)17-13-23-12-4-3-7-19(23)22-17/h1-2,5-6,8-11,13H,3-4,7,12H2,(H,21,25).
What are the key properties of 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2-nitro-N-[4-(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 2-nitro-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 60525812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).