1,3-dibenzylphenanthro[9,10-d]imidazol-2-one

C29H22N2O — CID 11509882

IUPAC1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
SMILESO=c1n(Cc2ccccc2)c2c3ccccc3c3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C29H22N2O/c32-29-30(19-21-11-3-1-4-12-21)27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28(27)31(29)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyZKUGOHVYWLHVOB-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.21
Rot. Bonds4

About 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one

1,3-dibenzylphenanthro[9,10-d]imidazol-2-one (PubChem CID 11509882) has the molecular formula C29H22N2O and a molecular weight of 414.51 g/mol. Its IUPAC name is 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one.

Molecular Properties

Compound Name1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
PubChem CID11509882
Molecular FormulaC29H22N2O
Molecular Weight414.51 g/mol
Exact Mass414.17
IUPAC Name1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
SMILESO=c1n(Cc2ccccc2)c2c3ccccc3c3ccccc3c2n1Cc1ccccc1
InChIInChI=1S/C29H22N2O/c32-29-30(19-21-11-3-1-4-12-21)27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28(27)31(29)20-22-13-5-2-6-14-22/h1-18H,19-20H2
InChIKeyZKUGOHVYWLHVOB-UHFFFAOYSA-N
XLogP6.21
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 633879
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-benzyl-3-(2-hydroxyethyl)quinazoline-2,4-dione
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1,3-diphenylphenanthro[9,10-d]imidazol-2-one
CID 12809593
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
3-benzyl-4-hydroxy-1-methylimidazol-2-one
CID 54237295
4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione
CID 11313622
7,9-dibenzyl-6-methoxypurin-8-one
CID 73292843
1-benzyl-3,1-benzoxazine-2,4-dione
CID 520756

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one?
The IUPAC name of 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one (CID 11509882) is 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one.
What is the SMILES notation for 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one?
The canonical SMILES for 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one is O=c1n(Cc2ccccc2)c2c3ccccc3c3ccccc3c2n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one?
The InChIKey is ZKUGOHVYWLHVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N2O/c32-29-30(19-21-11-3-1-4-12-21)27-25-17-9-7-15-23(25)24-16-8-10-18-26(24)28(27)31(29)20-22-13-5-2-6-14-22/h1-18H,19-20H2.
What are the key properties of 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one?
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one has a molecular weight of 414.51 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzylphenanthro[9,10-d]imidazol-2-one is sourced from PubChem (CID 11509882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).