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

C20H11F5N6O5 — CID 146929473

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1=NC(NC(=O)c2ccccc2OC(F)(F)F)=NC1
InChIInChI=1S/C20H11F5N6O5/c21-19(22,23)34-12-4-2-1-3-8(12)15(32)30-17-26-7-11(29-17)16(33)31-18-27-9-5-13-14(6-10(9)28-18)36-20(24,25)35-13/h1-6H,7H2,(H,26,30,32)(H2,27,28,31,33)
InChIKeyAESFCZLPDUDRKQ-UHFFFAOYSA-N
MW510.34 g/mol
LogP2.96
Rot. Bonds4

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide (PubChem CID 146929473) has the molecular formula C20H11F5N6O5 and a molecular weight of 510.34 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide
PubChem CID146929473
Molecular FormulaC20H11F5N6O5
Molecular Weight510.34 g/mol
Exact Mass510.07
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1=NC(NC(=O)c2ccccc2OC(F)(F)F)=NC1
InChIInChI=1S/C20H11F5N6O5/c21-19(22,23)34-12-4-2-1-3-8(12)15(32)30-17-26-7-11(29-17)16(33)31-18-27-9-5-13-14(6-10(9)28-18)36-20(24,25)35-13/h1-6H,7H2,(H,26,30,32)(H2,27,28,31,33)
InChIKeyAESFCZLPDUDRKQ-UHFFFAOYSA-N
XLogP2.96
TPSA139.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.34
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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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)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide (CID 146929473) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)C1=NC(NC(=O)c2ccccc2OC(F)(F)F)=NC1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide?
The InChIKey is AESFCZLPDUDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F5N6O5/c21-19(22,23)34-12-4-2-1-3-8(12)15(32)30-17-26-7-11(29-17)16(33)31-18-27-9-5-13-14(6-10(9)28-18)36-20(24,25)35-13/h1-6H,7H2,(H,26,30,32)(H2,27,28,31,33).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide has a molecular weight of 510.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 8 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)-2-[[2-(trifluoromethoxy)benzoyl]amino]-4H-imidazole-5-carboxamide is sourced from PubChem (CID 146929473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).