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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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).