2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one

C36H28N4O — CID 10030014

IUPAC2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one
SMILESCc1c(Cn2ccc3cnc4ccccc4c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28N4O/c1-26-33(24-39-22-21-27-23-37-32-20-12-11-19-31(32)34(27)35(39)41)38-25-40(26)36(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-23,25H,24H2,1H3
InChIKeyLNBZHWDKMHRUBG-UHFFFAOYSA-N
MW532.65 g/mol
LogP6.94
Rot. Bonds6

About 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one

2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one (PubChem CID 10030014) has the molecular formula C36H28N4O and a molecular weight of 532.65 g/mol. Its IUPAC name is 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one.

Molecular Properties

Compound Name2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one
PubChem CID10030014
Molecular FormulaC36H28N4O
Molecular Weight532.65 g/mol
Exact Mass532.23
IUPAC Name2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one
SMILESCc1c(Cn2ccc3cnc4ccccc4c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28N4O/c1-26-33(24-39-22-21-27-23-37-32-20-12-11-19-31(32)34(27)35(39)41)38-25-40(26)36(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-23,25H,24H2,1H3
InChIKeyLNBZHWDKMHRUBG-UHFFFAOYSA-N
XLogP6.94
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.65
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

7-methyl-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]pyrido[4,3-c]carbazol-1-one
CID 10460940
7-chloro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]isoquinolin-1-one
CID 10075227
8-chloro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]-1H-imidazo[1,5-a]indol-3-one
CID 70103121
6-fluoro-2-[(5-methyl-1-tritylimidazol-4-yl)methyl]-4,5-dihydro-3H-pyrido[4,3-b]indol-1-one
CID 15712520
10-methylphenanthridine
CID 101052009
10-ethyl-3-[(5-methyl-1-tritylimidazol-4-yl)methyl]-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one
CID 70067166
6-[2-(5-methyl-1-tritylimidazol-4-yl)ethyl]-1,3-benzothiazol-2-amine
CID 10413658
ethyl 4-methyl-2-[(1-oxoisoquinolin-2-yl)methyl]quinoline-3-carboxylate
CID 9354471
2-[(5-methyl-1H-imidazol-4-yl)methyl]-[1]benzofuro[3,2-c]pyridin-1-one
CID 14994650
3-amino-1-[(2-methylquinolin-4-yl)methyl]pyridin-2-one
CID 79235474
3-[(5-methyl-1H-imidazol-4-yl)methyl]quinazolin-4-one
CID 10421762
4-hydroxy-1-(5-methyl-1-tritylimidazol-4-yl)butan-1-one
CID 59725813

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one?
The IUPAC name of 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one (CID 10030014) is 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one.
What is the SMILES notation for 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one?
The canonical SMILES for 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one is Cc1c(Cn2ccc3cnc4ccccc4c3c2=O)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one?
The InChIKey is LNBZHWDKMHRUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N4O/c1-26-33(24-39-22-21-27-23-37-32-20-12-11-19-31(32)34(27)35(39)41)38-25-40(26)36(28-13-5-2-6-14-28,29-15-7-3-8-16-29)30-17-9-4-10-18-30/h2-23,25H,24H2,1H3.
What are the key properties of 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one?
2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one has a molecular weight of 532.65 g/mol, XLogP of 6.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-tritylimidazol-4-yl)methyl]benzo[h][2,6]naphthyridin-1-one is sourced from PubChem (CID 10030014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).