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

C16H9F2N7O3 — CID 118117224

IUPACN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H9F2N7O3/c17-16(18)27-11-5-9-10(6-12(11)28-16)20-15(19-9)21-14(26)8-3-1-2-7(4-8)13-22-24-25-23-13/h1-6H,(H2,19,20,21,26)(H,22,23,24,25)
InChIKeyDRZUBQLBUDBSAP-UHFFFAOYSA-N
MW385.29 g/mol
LogP2.32
Rot. Bonds3

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

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide (PubChem CID 118117224) has the molecular formula C16H9F2N7O3 and a molecular weight of 385.29 g/mol. Its IUPAC name is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide
PubChem CID118117224
Molecular FormulaC16H9F2N7O3
Molecular Weight385.29 g/mol
Exact Mass385.07
IUPAC NameN-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide
SMILESO=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C16H9F2N7O3/c17-16(18)27-11-5-9-10(6-12(11)28-16)20-15(19-9)21-14(26)8-3-1-2-7(4-8)13-22-24-25-23-13/h1-6H,(H2,19,20,21,26)(H,22,23,24,25)
InChIKeyDRZUBQLBUDBSAP-UHFFFAOYSA-N
XLogP2.32
TPSA130.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide
CID 72720599
methyl 3-[(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)carbamoyl]benzoate
CID 72720814
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(dimethylamino)benzamide
CID 72720816
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-methoxybenzamide
CID 72721720
N-(2,2-Difluoro-5H-1,3-dioxolo[4,5-f]benzoimidazole-6-yl)-3-methoxybenzamide
CID 72721921
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(difluoromethoxy)benzamide
CID 118117741
1'-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 44580223
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 155161477
US10508088, Example 33-4
CID 134459963
4-(5,6-Dimethoxy-2-benzimidazoyl)-benzohydrazide
CID 129853345
2-(difluoromethyl)-N-(3,4-dimethoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 53542688
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-2-methylbenzamide
CID 72720482

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide (CID 118117224) is N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide is O=C(Nc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide?
The InChIKey is DRZUBQLBUDBSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N7O3/c17-16(18)27-11-5-9-10(6-12(11)28-16)20-15(19-9)21-14(26)8-3-1-2-7(4-8)13-22-24-25-23-13/h1-6H,(H2,19,20,21,26)(H,22,23,24,25).
What are the key properties of N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide?
N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-3-(2H-tetrazol-5-yl)benzamide has a molecular weight of 385.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 3 hydrogen bond donors, and 7 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-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 118117224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).