N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

C16H13F2N3O3 — CID 2583256

IUPACN-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O3/c1-23-13-8-9(6-7-12(13)24-15(17)18)14(22)21-16-19-10-4-2-3-5-11(10)20-16/h2-8,15H,1H3,(H2,19,20,21,22)
InChIKeyDAWWOGXKQKXPLQ-UHFFFAOYSA-N
MW333.29 g/mol
LogP3.43
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide

N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 2583256) has the molecular formula C16H13F2N3O3 and a molecular weight of 333.29 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID2583256
Molecular FormulaC16H13F2N3O3
Molecular Weight333.29 g/mol
Exact Mass333.09
IUPAC NameN-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C16H13F2N3O3/c1-23-13-8-9(6-7-12(13)24-15(17)18)14(22)21-16-19-10-4-2-3-5-11(10)20-16/h2-8,15H,1H3,(H2,19,20,21,22)
InChIKeyDAWWOGXKQKXPLQ-UHFFFAOYSA-N
XLogP3.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide (CID 2583256) is N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1OC(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is DAWWOGXKQKXPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3/c1-23-13-8-9(6-7-12(13)24-15(17)18)14(22)21-16-19-10-4-2-3-5-11(10)20-16/h2-8,15H,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide?
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 333.29 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 2583256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).