N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide

C19H26F2N4O — CID 139313233

IUPACN-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide
SMILESCCCN1/C(=C/C(=N/Cc2cccc(F)c2F)NC=O)N(C)CC1CC
InChIInChI=1S/C19H26F2N4O/c1-4-9-25-15(5-2)12-24(3)18(25)10-17(23-13-26)22-11-14-7-6-8-16(20)19(14)21/h6-8,10,13,15H,4-5,9,11-12H2,1-3H3,(H,22,23,26)/b18-10+
InChIKeyUFUHNWFRHKUWAQ-VCHYOVAHSA-N
MW364.44 g/mol
LogP2.89
Rot. Bonds7

About N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide

N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide (PubChem CID 139313233) has the molecular formula C19H26F2N4O and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide.

Molecular Properties

Compound NameN-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide
PubChem CID139313233
Molecular FormulaC19H26F2N4O
Molecular Weight364.44 g/mol
Exact Mass364.21
IUPAC NameN-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide
SMILESCCCN1/C(=C/C(=N/Cc2cccc(F)c2F)NC=O)N(C)CC1CC
InChIInChI=1S/C19H26F2N4O/c1-4-9-25-15(5-2)12-24(3)18(25)10-17(23-13-26)22-11-14-7-6-8-16(20)19(14)21/h6-8,10,13,15H,4-5,9,11-12H2,1-3H3,(H,22,23,26)/b18-10+
InChIKeyUFUHNWFRHKUWAQ-VCHYOVAHSA-N
XLogP2.89
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide?
The IUPAC name of N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide (CID 139313233) is N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide.
What is the SMILES notation for N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide?
The canonical SMILES for N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide is CCCN1/C(=C/C(=N/Cc2cccc(F)c2F)NC=O)N(C)CC1CC.
What is the InChIKey of N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide?
The InChIKey is UFUHNWFRHKUWAQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C19H26F2N4O/c1-4-9-25-15(5-2)12-24(3)18(25)10-17(23-13-26)22-11-14-7-6-8-16(20)19(14)21/h6-8,10,13,15H,4-5,9,11-12H2,1-3H3,(H,22,23,26)/b18-10+.
What are the key properties of N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide?
N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide has a molecular weight of 364.44 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-[(2,3-difluorophenyl)methyl]-C-[(E)-(4-ethyl-1-methyl-3-propylimidazolidin-2-ylidene)methyl]carbonimidoyl]formamide is sourced from PubChem (CID 139313233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).