3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one

C36H35N5O — CID 19349858

IUPAC3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2ccn(Cc3ccc(-c4ccccc4N)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C36H35N5O/c1-2-3-12-34-39-33-21-22-40(23-25-13-17-27(18-14-25)29-8-4-6-10-31(29)37)36(42)35(33)41(34)24-26-15-19-28(20-16-26)30-9-5-7-11-32(30)38/h4-11,13-22H,2-3,12,23-24,37-38H2,1H3
InChIKeyHPULYAOYLORZCM-UHFFFAOYSA-N
MW553.71 g/mol
LogP7.14
Rot. Bonds9

About 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one

3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one (PubChem CID 19349858) has the molecular formula C36H35N5O and a molecular weight of 553.71 g/mol. Its IUPAC name is 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
PubChem CID19349858
Molecular FormulaC36H35N5O
Molecular Weight553.71 g/mol
Exact Mass553.28
IUPAC Name3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one
SMILESCCCCc1nc2ccn(Cc3ccc(-c4ccccc4N)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2N)cc1
InChIInChI=1S/C36H35N5O/c1-2-3-12-34-39-33-21-22-40(23-25-13-17-27(18-14-25)29-8-4-6-10-31(29)37)36(42)35(33)41(34)24-26-15-19-28(20-16-26)30-9-5-7-11-32(30)38/h4-11,13-22H,2-3,12,23-24,37-38H2,1H3
InChIKeyHPULYAOYLORZCM-UHFFFAOYSA-N
XLogP7.14
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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
2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]acetic acid
CID 11743965
2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10413651
2-[2-butyl-3-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxoimidazo[4,5-c]pyridin-5-yl]-N,N-diphenylacetamide
CID 10099966
2-[[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 10460419
2-butyl-5-(2-oxo-2-piperidin-1-ylethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-c]pyridin-4-one
CID 10099064
2-[4-[[2-butyl-4-chloro-5-(ethoxymethyl)imidazol-1-yl]methyl]phenyl]aniline
CID 154357337
2-[4-[(2-butyl-4-oxo-5H-imidazo[4,5-c]pyridin-3-yl)methyl]phenyl]benzonitrile
CID 10385241
2-butyl-3-[[4-(2-nitrophenyl)phenyl]methyl]-5H-imidazo[4,5-c]pyridin-4-one
CID 19349843
[2-[4-[(2-butyl-7-methoxybenzimidazol-1-yl)methyl]phenyl]phenyl] hydrogen carbonate
CID 67756136
2-[4-[(2-butyl-4-oxo-5-phenacylimidazo[4,5-c]pyridin-3-yl)methyl]-3-fluorophenyl]benzenesulfonamide
CID 10578989

Frequently Asked Questions

What is the IUPAC name of 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one (CID 19349858) is 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one is CCCCc1nc2ccn(Cc3ccc(-c4ccccc4N)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2N)cc1.
What is the InChIKey of 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one?
The InChIKey is HPULYAOYLORZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35N5O/c1-2-3-12-34-39-33-21-22-40(23-25-13-17-27(18-14-25)29-8-4-6-10-31(29)37)36(42)35(33)41(34)24-26-15-19-28(20-16-26)30-9-5-7-11-32(30)38/h4-11,13-22H,2-3,12,23-24,37-38H2,1H3.
What are the key properties of 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one?
3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one has a molecular weight of 553.71 g/mol, XLogP of 7.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[[4-(2-aminophenyl)phenyl]methyl]-2-butylimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 19349858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).