N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

C19H18F2N4O2 — CID 2419342

IUPACN-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3ccccc3OC(F)F)ccc21
InChIInChI=1S/C19H18F2N4O2/c1-3-25-12(2)23-15-10-13(8-9-16(15)25)18(26)24-22-11-14-6-4-5-7-17(14)27-19(20)21/h4-11,19H,3H2,1-2H3,(H,24,26)
InChIKeyYCPYNUYSCNCIFC-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.73
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 2419342) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
PubChem CID2419342
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3ccccc3OC(F)F)ccc21
InChIInChI=1S/C19H18F2N4O2/c1-3-25-12(2)23-15-10-13(8-9-16(15)25)18(26)24-22-11-14-6-4-5-7-17(14)27-19(20)21/h4-11,19H,3H2,1-2H3,(H,24,26)
InChIKeyYCPYNUYSCNCIFC-UHFFFAOYSA-N
XLogP3.73
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (CID 2419342) is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)NN=Cc3ccccc3OC(F)F)ccc21.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is YCPYNUYSCNCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c1-3-25-12(2)23-15-10-13(8-9-16(15)25)18(26)24-22-11-14-6-4-5-7-17(14)27-19(20)21/h4-11,19H,3H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 372.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 2419342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).