(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone

C14H10F2N4O3 — CID 118117176

IUPAC(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)n1c(N)nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C14H10F2N4O3/c1-19-4-2-3-8(19)12(21)20-9-6-11-10(22-14(15,16)23-11)5-7(9)18-13(20)17/h2-6H,1H3,(H2,17,18)
InChIKeySTMQCLMBLBUDJY-UHFFFAOYSA-N
MW320.26 g/mol
LogP1.97
Rot. Bonds1

About (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone

(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone (PubChem CID 118117176) has the molecular formula C14H10F2N4O3 and a molecular weight of 320.26 g/mol. Its IUPAC name is (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone
PubChem CID118117176
Molecular FormulaC14H10F2N4O3
Molecular Weight320.26 g/mol
Exact Mass320.07
IUPAC Name(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)n1c(N)nc2cc3c(cc21)OC(F)(F)O3
InChIInChI=1S/C14H10F2N4O3/c1-19-4-2-3-8(19)12(21)20-9-6-11-10(22-14(15,16)23-11)5-7(9)18-13(20)17/h2-6H,1H3,(H2,17,18)
InChIKeySTMQCLMBLBUDJY-UHFFFAOYSA-N
XLogP1.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone (CID 118117176) is (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)n1c(N)nc2cc3c(cc21)OC(F)(F)O3.
What is the InChIKey of (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone?
The InChIKey is STMQCLMBLBUDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O3/c1-19-4-2-3-8(19)12(21)20-9-6-11-10(22-14(15,16)23-11)5-7(9)18-13(20)17/h2-6H,1H3,(H2,17,18).
What are the key properties of (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone?
(6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone has a molecular weight of 320.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,2-difluoro-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 118117176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).