1-(3H-benzimidazol-5-yl)diazinan-3-one

C11H12N4O — CID 154416908

IUPAC1-(3H-benzimidazol-5-yl)diazinan-3-one
SMILESO=C1CCCN(c2ccc3nc[nH]c3c2)N1
InChIInChI=1S/C11H12N4O/c16-11-2-1-5-15(14-11)8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7H,1-2,5H2,(H,12,13)(H,14,16)
InChIKeyRTMONBXOIXHSRP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.19
Rot. Bonds1

About 1-(3H-benzimidazol-5-yl)diazinan-3-one

1-(3H-benzimidazol-5-yl)diazinan-3-one (PubChem CID 154416908) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)diazinan-3-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)diazinan-3-one
PubChem CID154416908
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name1-(3H-benzimidazol-5-yl)diazinan-3-one
SMILESO=C1CCCN(c2ccc3nc[nH]c3c2)N1
InChIInChI=1S/C11H12N4O/c16-11-2-1-5-15(14-11)8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7H,1-2,5H2,(H,12,13)(H,14,16)
InChIKeyRTMONBXOIXHSRP-UHFFFAOYSA-N
XLogP1.19
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
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6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
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(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)diazinan-3-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)diazinan-3-one (CID 154416908) is 1-(3H-benzimidazol-5-yl)diazinan-3-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)diazinan-3-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)diazinan-3-one is O=C1CCCN(c2ccc3nc[nH]c3c2)N1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)diazinan-3-one?
The InChIKey is RTMONBXOIXHSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c16-11-2-1-5-15(14-11)8-3-4-9-10(6-8)13-7-12-9/h3-4,6-7H,1-2,5H2,(H,12,13)(H,14,16).
What are the key properties of 1-(3H-benzimidazol-5-yl)diazinan-3-one?
1-(3H-benzimidazol-5-yl)diazinan-3-one has a molecular weight of 216.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)diazinan-3-one is sourced from PubChem (CID 154416908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).