1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one

C16H14N4O — CID 167055828

IUPAC1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one
SMILESCn1ccc2cc(-n3c(=O)n(C)c4ccccc43)cnc21
InChIInChI=1S/C16H14N4O/c1-18-8-7-11-9-12(10-17-15(11)18)20-14-6-4-3-5-13(14)19(2)16(20)21/h3-10H,1-2H3
InChIKeyADPFGOCUSNOBIY-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.22
Rot. Bonds1

About 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one

1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one (PubChem CID 167055828) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one
PubChem CID167055828
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one
SMILESCn1ccc2cc(-n3c(=O)n(C)c4ccccc43)cnc21
InChIInChI=1S/C16H14N4O/c1-18-8-7-11-9-12(10-17-15(11)18)20-14-6-4-3-5-13(14)19(2)16(20)21/h3-10H,1-2H3
InChIKeyADPFGOCUSNOBIY-UHFFFAOYSA-N
XLogP2.22
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one (CID 167055828) is 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one is Cn1ccc2cc(-n3c(=O)n(C)c4ccccc43)cnc21.
What is the InChIKey of 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one?
The InChIKey is ADPFGOCUSNOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-18-8-7-11-9-12(10-17-15(11)18)20-14-6-4-3-5-13(14)19(2)16(20)21/h3-10H,1-2H3.
What are the key properties of 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one?
1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one has a molecular weight of 278.32 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)benzimidazol-2-one is sourced from PubChem (CID 167055828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).