N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine

C20H16F2N4O — CID 4051864

IUPACN-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
SMILESCC(=NNc1nc2ccccc2[nH]1)c1ccc2ccccc2c1OC(F)F
InChIInChI=1S/C20H16F2N4O/c1-12(25-26-20-23-16-8-4-5-9-17(16)24-20)14-11-10-13-6-2-3-7-15(13)18(14)27-19(21)22/h2-11,19H,1H3,(H2,23,24,26)
InChIKeyUYSDCCIFSZMZGA-UHFFFAOYSA-N
MW366.37 g/mol
LogP5.15
Rot. Bonds5

About N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine

N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine (PubChem CID 4051864) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
PubChem CID4051864
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC NameN-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine
SMILESCC(=NNc1nc2ccccc2[nH]1)c1ccc2ccccc2c1OC(F)F
InChIInChI=1S/C20H16F2N4O/c1-12(25-26-20-23-16-8-4-5-9-17(16)24-20)14-11-10-13-6-2-3-7-15(13)18(14)27-19(21)22/h2-11,19H,1H3,(H2,23,24,26)
InChIKeyUYSDCCIFSZMZGA-UHFFFAOYSA-N
XLogP5.15
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.37
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine (CID 4051864) is N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine is CC(=NNc1nc2ccccc2[nH]1)c1ccc2ccccc2c1OC(F)F.
What is the InChIKey of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is UYSDCCIFSZMZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-12(25-26-20-23-16-8-4-5-9-17(16)24-20)14-11-10-13-6-2-3-7-15(13)18(14)27-19(21)22/h2-11,19H,1H3,(H2,23,24,26).
What are the key properties of N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine?
N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 366.37 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(difluoromethoxy)naphthalen-2-yl]ethylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 4051864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).