N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide

C19H19F2N3O2 — CID 39975772

IUPACN-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide
SMILESCCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H19F2N3O2/c1-3-26-16-11-7-4-8-13(16)18(25)23(2)12-17-22-14-9-5-6-10-15(14)24(17)19(20)21/h4-11,19H,3,12H2,1-2H3
InChIKeySMYCPLGNRZNNMM-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.10
Rot. Bonds6

About N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide

N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide (PubChem CID 39975772) has the molecular formula C19H19F2N3O2 and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide
PubChem CID39975772
Molecular FormulaC19H19F2N3O2
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC NameN-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide
SMILESCCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F
InChIInChI=1S/C19H19F2N3O2/c1-3-26-16-11-7-4-8-13(16)18(25)23(2)12-17-22-14-9-5-6-10-15(14)24(17)19(20)21/h4-11,19H,3,12H2,1-2H3
InChIKeySMYCPLGNRZNNMM-UHFFFAOYSA-N
XLogP4.10
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[1-(difluoromethyl)benzimidazol-2-yl]methyl-methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 25341725
(3S)-5-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 37288223
4-(cyclopropylsulfamoyl)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-N-methylbenzamide
CID 31403750
(2S)-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-1-ethylsulfonyl-N-methylpropan-2-amine
CID 95900557
2-bromo-N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-4,5-dimethoxy-N-methylbenzenesulfonamide
CID 30784529
2-ethoxy-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 8875070
[1-(difluoromethyl)benzimidazol-2-yl]methyl 3-bromo-4-ethoxy-5-methoxybenzoate
CID 16625175
2-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylbenzamide
CID 18116979
[1-(difluoromethyl)benzimidazol-2-yl]methyl 2-hydroxy-3-methylbenzoate
CID 16624884
N-methyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965763
2-ethoxy-N-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 18113269
N-methyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16964123

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide?
The IUPAC name of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide (CID 39975772) is N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide.
What is the SMILES notation for N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide?
The canonical SMILES for N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide is CCOc1ccccc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide?
The InChIKey is SMYCPLGNRZNNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O2/c1-3-26-16-11-7-4-8-13(16)18(25)23(2)12-17-22-14-9-5-6-10-15(14)24(17)19(20)21/h4-11,19H,3,12H2,1-2H3.
What are the key properties of N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide?
N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide has a molecular weight of 359.38 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)benzimidazol-2-yl]methyl]-2-ethoxy-N-methylbenzamide is sourced from PubChem (CID 39975772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).