7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one

C15H15N5O — CID 70394142

IUPAC7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncn1)N3
InChIInChI=1S/C15H15N5O/c1-15(2)8-5-11-12(6-10(8)20-14(15)21)19-13(18-11)9-3-4-16-7-17-9/h3-7,13,18-19H,1-2H3,(H,20,21)
InChIKeyZLKWQTSQSUCWJJ-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.24
Rot. Bonds1

About 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one

7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (PubChem CID 70394142) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.

Molecular Properties

Compound Name7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
PubChem CID70394142
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one
SMILESCC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncn1)N3
InChIInChI=1S/C15H15N5O/c1-15(2)8-5-11-12(6-10(8)20-14(15)21)19-13(18-11)9-3-4-16-7-17-9/h3-7,13,18-19H,1-2H3,(H,20,21)
InChIKeyZLKWQTSQSUCWJJ-UHFFFAOYSA-N
XLogP2.24
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The IUPAC name of 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one (CID 70394142) is 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one.
What is the SMILES notation for 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The canonical SMILES for 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is CC1(C)C(=O)Nc2cc3c(cc21)NC(c1ccncn1)N3.
What is the InChIKey of 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
The InChIKey is ZLKWQTSQSUCWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-15(2)8-5-11-12(6-10(8)20-14(15)21)19-13(18-11)9-3-4-16-7-17-9/h3-7,13,18-19H,1-2H3,(H,20,21).
What are the key properties of 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one?
7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one has a molecular weight of 281.32 g/mol, XLogP of 2.24, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-pyrimidin-4-yl-1,2,3,5-tetrahydropyrrolo[2,3-f]benzimidazol-6-one is sourced from PubChem (CID 70394142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).