1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C22H19FN4O3 — CID 174271887

IUPAC1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)ccc21
InChIInChI=1S/C22H19FN4O3/c1-2-27-19-9-4-15(11-18(19)26-22(27)29)21(28)25-13-14-3-10-20(24-12-14)30-17-7-5-16(23)6-8-17/h3-12H,2,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyPNFWQBVOUKXSKB-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.61
Rot. Bonds6

About 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 174271887) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID174271887
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)ccc21
InChIInChI=1S/C22H19FN4O3/c1-2-27-19-9-4-15(11-18(19)26-22(27)29)21(28)25-13-14-3-10-20(24-12-14)30-17-7-5-16(23)6-8-17/h3-12H,2,13H2,1H3,(H,25,28)(H,26,29)
InChIKeyPNFWQBVOUKXSKB-UHFFFAOYSA-N
XLogP3.61
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-4-methoxy-3-nitrobenzamide
CID 55800772
N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765084
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800742
1-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 47020508
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111878003
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
1-ethyl-N-[(3-methylphenyl)methyl]-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 33279242
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-5-hydroxy-2-(trifluoromethyl)benzamide
CID 91651889

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 174271887) is 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is CCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)ccc21.
What is the InChIKey of 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is PNFWQBVOUKXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-2-27-19-9-4-15(11-18(19)26-22(27)29)21(28)25-13-14-3-10-20(24-12-14)30-17-7-5-16(23)6-8-17/h3-12H,2,13H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 406.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 174271887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).