N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

C19H18F2N4O — CID 9016818

IUPACN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C(/C)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H18F2N4O/c1-4-25-12(3)22-17-10-14(6-8-18(17)25)19(26)24-23-11(2)13-5-7-15(20)16(21)9-13/h5-10H,4H2,1-3H3,(H,24,26)/b23-11-
InChIKeyLZTVIMJMIJIUKC-KSEXSDGBSA-N
MW356.38 g/mol
LogP3.80
Rot. Bonds4

About N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide

N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 9016818) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
PubChem CID9016818
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)N/N=C(/C)c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H18F2N4O/c1-4-25-12(3)22-17-10-14(6-8-18(17)25)19(26)24-23-11(2)13-5-7-15(20)16(21)9-13/h5-10H,4H2,1-3H3,(H,24,26)/b23-11-
InChIKeyLZTVIMJMIJIUKC-KSEXSDGBSA-N
XLogP3.80
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
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-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide (CID 9016818) is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)N/N=C(/C)c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is LZTVIMJMIJIUKC-KSEXSDGBSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-4-25-12(3)22-17-10-14(6-8-18(17)25)19(26)24-23-11(2)13-5-7-15(20)16(21)9-13/h5-10H,4H2,1-3H3,(H,24,26)/b23-11-.
What are the key properties of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 9016818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).