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

C18H11F2N5O3 — CID 118117101

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H11F2N5O3/c19-18(20)27-13-7-11-12(8-14(13)28-18)24-17(23-11)25-16(26)10-3-1-2-9(6-10)15-21-4-5-22-15/h1-8H,(H,21,22)(H2,23,24,25,26)
InChIKeyLOVQBSVZYYCBIZ-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.53
Rot. Bonds3

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide (PubChem CID 118117101) has the molecular formula C18H11F2N5O3 and a molecular weight of 383.31 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide
PubChem CID118117101
Molecular FormulaC18H11F2N5O3
Molecular Weight383.31 g/mol
Exact Mass383.08
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2ncc[nH]2)c1
InChIInChI=1S/C18H11F2N5O3/c19-18(20)27-13-7-11-12(8-14(13)28-18)24-17(23-11)25-16(26)10-3-1-2-9(6-10)15-21-4-5-22-15/h1-8H,(H,21,22)(H2,23,24,25,26)
InChIKeyLOVQBSVZYYCBIZ-UHFFFAOYSA-N
XLogP3.53
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide (CID 118117101) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2ncc[nH]2)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide?
The InChIKey is LOVQBSVZYYCBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O3/c19-18(20)27-13-7-11-12(8-14(13)28-18)24-17(23-11)25-16(26)10-3-1-2-9(6-10)15-21-4-5-22-15/h1-8H,(H,21,22)(H2,23,24,25,26).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(1H-imidazol-2-yl)benzamide has a molecular weight of 383.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 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)-3-(1H-imidazol-2-yl)benzamide is sourced from PubChem (CID 118117101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).