N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide

C17H15F2N3O4 — CID 167880656

IUPACN-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC(F)F
InChIInChI=1S/C17H15F2N3O4/c1-24-12-7-9(8-13(25-2)14(12)26-16(18)19)15(23)22-17-20-10-5-3-4-6-11(10)21-17/h3-8,16H,1-2H3,(H2,20,21,22,23)
InChIKeyWYJJPGULDGXJOO-UHFFFAOYSA-N
MW363.32 g/mol
LogP3.43
Rot. Bonds6

About N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide

N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide (PubChem CID 167880656) has the molecular formula C17H15F2N3O4 and a molecular weight of 363.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
PubChem CID167880656
Molecular FormulaC17H15F2N3O4
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC NameN-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC(F)F
InChIInChI=1S/C17H15F2N3O4/c1-24-12-7-9(8-13(25-2)14(12)26-16(18)19)15(23)22-17-20-10-5-3-4-6-11(10)21-17/h3-8,16H,1-2H3,(H2,20,21,22,23)
InChIKeyWYJJPGULDGXJOO-UHFFFAOYSA-N
XLogP3.43
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1H-benzimidazol-2-ylamino)-4-methyl-1-oxopentan-2-yl]-3,4,5-trimethoxybenzamide
CID 53199794
N-(1H-benzimidazol-2-yl)-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46445811
N-(1H-benzimidazol-2-yl)-6-methoxypyridine-3-carboxamide
CID 27649712
4-(difluoromethoxy)-N-(1H-imidazo[4,5-b]pyridin-2-yl)-3-methoxybenzamide
CID 71847600
N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-(1H-benzimidazol-2-yl)-3-methoxy-5-phenylthiophene-2-carboxamide
CID 52667720
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide (CID 167880656) is N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
The InChIKey is WYJJPGULDGXJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4/c1-24-12-7-9(8-13(25-2)14(12)26-16(18)19)15(23)22-17-20-10-5-3-4-6-11(10)21-17/h3-8,16H,1-2H3,(H2,20,21,22,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide has a molecular weight of 363.32 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide is sourced from PubChem (CID 167880656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).