1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide

C22H19FN4O2 — CID 2121499

IUPAC1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)ccc21
InChIInChI=1S/C22H19FN4O2/c1-3-27-14(2)25-19-12-16(6-10-20(19)27)22(28)26-24-13-18-9-11-21(29-18)15-4-7-17(23)8-5-15/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyJVXXPWMXVIFSEL-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.53
Rot. Bonds5

About 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide

1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide (PubChem CID 2121499) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide
PubChem CID2121499
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)ccc21
InChIInChI=1S/C22H19FN4O2/c1-3-27-14(2)25-19-12-16(6-10-20(19)27)22(28)26-24-13-18-9-11-21(29-18)15-4-7-17(23)8-5-15/h4-13H,3H2,1-2H3,(H,26,28)
InChIKeyJVXXPWMXVIFSEL-UHFFFAOYSA-N
XLogP4.53
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.53
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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Related Compounds

1-ethyl-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzimidazole-5-carboxamide
CID 4680774
4-[(Z)-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 6085667
1-ethyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 136721256
1-ethyl-N-[(4-methoxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2323425
N-[(4-acetamidophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 2368148
N-[(4-butoxyphenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 3485700
1-ethyl-N-[(2-hydroxyphenyl)methylideneamino]-2-methylbenzimidazole-5-carboxamide
CID 2641917
N-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 42991014
N-[(2-bromophenyl)methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 5235917
1-ethyl-2-methyl-N-[[4-(N-methylanilino)phenyl]methylideneamino]benzimidazole-5-carboxamide
CID 4210674
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-1-ethyl-2-methylbenzimidazole-5-carboxamide
CID 135607240
1-ethyl-2-methyl-N-[(1-methyl-2-phenylindol-3-yl)methylideneamino]benzimidazole-5-carboxamide
CID 3882567

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide (CID 2121499) is 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)NN=Cc3ccc(-c4ccc(F)cc4)o3)ccc21.
What is the InChIKey of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide?
The InChIKey is JVXXPWMXVIFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-3-27-14(2)25-19-12-16(6-10-20(19)27)22(28)26-24-13-18-9-11-21(29-18)15-4-7-17(23)8-5-15/h4-13H,3H2,1-2H3,(H,26,28).
What are the key properties of 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide?
1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide has a molecular weight of 390.42 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[5-(4-fluorophenyl)furan-2-yl]methylideneamino]-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 2121499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).