2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione

C16H10N2O2 — CID 3908369

IUPAC2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione
SMILESCc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C16H10N2O2/c1-8-17-12-7-6-11-13(14(12)18-8)16(20)10-5-3-2-4-9(10)15(11)19/h2-7H,1H3,(H,17,18)
InChIKeyIXPPRTBZHPTQCM-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.65
Rot. Bonds

About 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione

2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione (PubChem CID 3908369) has the molecular formula C16H10N2O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione.

Molecular Properties

Compound Name2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione
PubChem CID3908369
Molecular FormulaC16H10N2O2
Molecular Weight262.27 g/mol
Exact Mass262.07
IUPAC Name2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione
SMILESCc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C16H10N2O2/c1-8-17-12-7-6-11-13(14(12)18-8)16(20)10-5-3-2-4-9(10)15(11)19/h2-7H,1H3,(H,17,18)
InChIKeyIXPPRTBZHPTQCM-UHFFFAOYSA-N
XLogP2.65
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

CID 4030
CID 4030
CID 35802
CID 35802
CID 40320
CID 40320
CID 5494425
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CID 3749366
CID 3749366
CID 135566329
CID 135566329
CID 2386123
CID 2386123
CID 648179
CID 648179
CID 10823781
CID 10823781
CID 11226607
CID 11226607
CID 11348947
CID 11348947
CID 16665391
CID 16665391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
The IUPAC name of 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione (CID 3908369) is 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione.
What is the SMILES notation for 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
The canonical SMILES for 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione is Cc1nc2c3c(ccc2[nH]1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
The InChIKey is IXPPRTBZHPTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O2/c1-8-17-12-7-6-11-13(14(12)18-8)16(20)10-5-3-2-4-9(10)15(11)19/h2-7H,1H3,(H,17,18).
What are the key properties of 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione?
2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione has a molecular weight of 262.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-naphtho[3,2-e]benzimidazole-6,11-dione is sourced from PubChem (CID 3908369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).