N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide

C16H13F2N3O3 — CID 17465010

IUPACN-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nn2cnc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O3/c1-23-14-8-10(6-7-13(14)24-16(17)18)15(22)20-21-9-19-11-4-2-3-5-12(11)21/h2-9,16H,1H3,(H,20,22)
InChIKeyNPEUDQQWUIQNCF-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.03
Rot. Bonds5

About N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide

N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 17465010) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID17465010
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC NameN-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nn2cnc3ccccc32)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O3/c1-23-14-8-10(6-7-13(14)24-16(17)18)15(22)20-21-9-19-11-4-2-3-5-12(11)21/h2-9,16H,1H3,(H,20,22)
InChIKeyNPEUDQQWUIQNCF-UHFFFAOYSA-N
XLogP3.03
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide (CID 17465010) is N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nn2cnc3ccccc32)ccc1OC(F)F.
What is the InChIKey of N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is NPEUDQQWUIQNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-23-14-8-10(6-7-13(14)24-16(17)18)15(22)20-21-9-19-11-4-2-3-5-12(11)21/h2-9,16H,1H3,(H,20,22).
What are the key properties of N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 333.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 17465010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).