N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide

C35H27N3O2 — CID 18769037

IUPACN-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1
InChIInChI=1S/C35H27N3O2/c1-36-34(40)28-20-18-25-21-27(19-17-26(25)22-28)33(39)32-23-38(24-37-32)35(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3,(H,36,40)
InChIKeyBXIZVEYIKFJEEF-UHFFFAOYSA-N
MW521.62 g/mol
LogP6.47
Rot. Bonds7

About N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide

N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide (PubChem CID 18769037) has the molecular formula C35H27N3O2 and a molecular weight of 521.62 g/mol. Its IUPAC name is N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide
PubChem CID18769037
Molecular FormulaC35H27N3O2
Molecular Weight521.62 g/mol
Exact Mass521.21
IUPAC NameN-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1
InChIInChI=1S/C35H27N3O2/c1-36-34(40)28-20-18-25-21-27(19-17-26(25)22-28)33(39)32-23-38(24-37-32)35(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3,(H,36,40)
InChIKeyBXIZVEYIKFJEEF-UHFFFAOYSA-N
XLogP6.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide?
The IUPAC name of N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide (CID 18769037) is N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide?
The canonical SMILES for N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide is CNC(=O)c1ccc2cc(C(=O)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1.
What is the InChIKey of N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide?
The InChIKey is BXIZVEYIKFJEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N3O2/c1-36-34(40)28-20-18-25-21-27(19-17-26(25)22-28)33(39)32-23-38(24-37-32)35(29-11-5-2-6-12-29,30-13-7-3-8-14-30)31-15-9-4-10-16-31/h2-24H,1H3,(H,36,40).
What are the key properties of N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide?
N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide has a molecular weight of 521.62 g/mol, XLogP of 6.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1-tritylimidazole-4-carbonyl)naphthalene-2-carboxamide is sourced from PubChem (CID 18769037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).