2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one

C23H22N4O3 — CID 19349843

IUPAC2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H22N4O3/c1-2-3-8-21-25-19-13-14-24-23(28)22(19)26(21)15-16-9-11-17(12-10-16)18-6-4-5-7-20(18)27(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,24,28)
InChIKeyUDIJXIAUYNBYGK-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.69
Rot. Bonds7

About 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one

2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one (PubChem CID 19349843) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
PubChem CID19349843
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C23H22N4O3/c1-2-3-8-21-25-19-13-14-24-23(28)22(19)26(21)15-16-9-11-17(12-10-16)18-6-4-5-7-20(18)27(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,24,28)
InChIKeyUDIJXIAUYNBYGK-UHFFFAOYSA-N
XLogP4.69
TPSA93.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.69
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-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
N-tert-butyl-2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzenesulfonamide
CID 10529180
4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoic acid
CID 19349828
2-[[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]methoxy]benzonitrile
CID 19349807
2-butyl-3-[[2-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67882947
2-[4-[(2-butyl-6-nitrobenzimidazol-1-yl)methyl]phenyl]benzonitrile
CID 10476679
3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
CID 19349858
2-[4-[[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]methyl]phenyl]benzonitrile
CID 10348085
2-[4-[[2-butyl-5-(cyanomethyl)-4-oxoimidazo[4,5-c]pyridin-3-yl]methyl]phenyl]benzonitrile
CID 19349852
7-methyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-2-propylimidazo[4,5-b]pyridine
CID 131717247
2-butyl-5-(dimethoxymethyl)-6-(2-nitrophenyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 51030762
2-butyl-3-[[2-[2-(1-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 67880833

Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
The IUPAC name of 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one (CID 19349843) is 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one is CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(-c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
The InChIKey is UDIJXIAUYNBYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-2-3-8-21-25-19-13-14-24-23(28)22(19)26(21)15-16-9-11-17(12-10-16)18-6-4-5-7-20(18)27(29)30/h4-7,9-14H,2-3,8,15H2,1H3,(H,24,28).
What are the key properties of 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one?
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one has a molecular weight of 402.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 19349843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).