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

C17H15F2N3O3 — CID 51143916

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C17H15F2N3O3/c1-24-14-8-10(6-7-13(14)25-17(18)19)16(23)20-9-15-21-11-4-2-3-5-12(11)22-15/h2-8,17H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKOKWTWZZJZROKR-UHFFFAOYSA-N
MW347.32 g/mol
LogP3.10
Rot. Bonds6

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

N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 51143916) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID51143916
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1OC(F)F
InChIInChI=1S/C17H15F2N3O3/c1-24-14-8-10(6-7-13(14)25-17(18)19)16(23)20-9-15-21-11-4-2-3-5-12(11)22-15/h2-8,17H,9H2,1H3,(H,20,23)(H,21,22)
InChIKeyKOKWTWZZJZROKR-UHFFFAOYSA-N
XLogP3.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55380895
N-(1H-benzimidazol-2-ylmethyl)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enamide
CID 78769813
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349
N-(1H-benzimidazol-2-ylmethyl)-5-bromo-2-methoxybenzamide
CID 146022195
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55759959
N-(1H-benzimidazol-2-ylmethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 78811558
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide (CID 51143916) is N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCc2nc3ccccc3[nH]2)ccc1OC(F)F.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is KOKWTWZZJZROKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-24-14-8-10(6-7-13(14)25-17(18)19)16(23)20-9-15-21-11-4-2-3-5-12(11)22-15/h2-8,17H,9H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 347.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 51143916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).