N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide

C14H10F2N4O3 — CID 72720913

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C14H10F2N4O3/c1-20-4-2-3-9(20)12(21)19-13-17-7-5-10-11(6-8(7)18-13)23-14(15,16)22-10/h2-6H,1H3,(H2,17,18,19,21)
InChIKeyVOEYIDKTWLQDNF-UHFFFAOYSA-N
MW320.26 g/mol
LogP2.48
Rot. Bonds2

About N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 72720913) has the molecular formula C14H10F2N4O3 and a molecular weight of 320.26 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide
PubChem CID72720913
Molecular FormulaC14H10F2N4O3
Molecular Weight320.26 g/mol
Exact Mass320.07
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3
InChIInChI=1S/C14H10F2N4O3/c1-20-4-2-3-9(20)12(21)19-13-17-7-5-10-11(6-8(7)18-13)23-14(15,16)22-10/h2-6H,1H3,(H2,17,18,19,21)
InChIKeyVOEYIDKTWLQDNF-UHFFFAOYSA-N
XLogP2.48
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide (CID 72720913) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is VOEYIDKTWLQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4O3/c1-20-4-2-3-9(20)12(21)19-13-17-7-5-10-11(6-8(7)18-13)23-14(15,16)22-10/h2-6H,1H3,(H2,17,18,19,21).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 320.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 72720913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).