2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide

C20H20FN7O — CID 22379986

IUPAC2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)NN)ccc21
InChIInChI=1S/C20H20FN7O/c1-2-9-28-16-7-6-13(20(29)26-22)11-15(16)25-18(28)12-27-10-8-23-19(27)14-4-3-5-17(21)24-14/h3-8,10-11H,2,9,12,22H2,1H3,(H,26,29)
InChIKeyKUPPQMMDWDFMEK-UHFFFAOYSA-N
MW393.43 g/mol
LogP2.50
Rot. Bonds6

About 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide

2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide (PubChem CID 22379986) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide
PubChem CID22379986
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)NN)ccc21
InChIInChI=1S/C20H20FN7O/c1-2-9-28-16-7-6-13(20(29)26-22)11-15(16)25-18(28)12-27-10-8-23-19(27)14-4-3-5-17(21)24-14/h3-8,10-11H,2,9,12,22H2,1H3,(H,26,29)
InChIKeyKUPPQMMDWDFMEK-UHFFFAOYSA-N
XLogP2.50
TPSA103.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]benzamide
CID 46263421
1-propyl-2-[(2-quinolin-2-ylimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22380108
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethylbenzimidazole-5-carboxylic acid
CID 22380327
3-ethyl-2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 59542840
1-ethyl-5-fluoro-2-[(2-pyrimidin-2-ylimidazol-1-yl)methyl]benzimidazole
CID 22379969
1-[3-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]imidazo[4,5-b]pyridin-6-yl]ethanone
CID 59001157
1-propyl-2-[(2-pyrazin-2-ylimidazol-1-yl)methyl]imidazo[4,5-c]pyridine
CID 22380121
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-amine
CID 22380200
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbonitrile
CID 22379972
N-[2-[(2-methylimidazol-1-yl)methyl]-1-propylbenzimidazol-5-yl]-2-nitrobenzamide
CID 46263429
2-[[2-(3,5-difluorophenyl)imidazol-1-yl]methyl]-3-propylimidazo[4,5-b]pyridine
CID 22379933
1-ethyl-2-[[2-[6-(trifluoromethyl)-2-pyridinyl]imidazol-1-yl]methyl]benzimidazole
CID 70931583

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide?
The IUPAC name of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide (CID 22379986) is 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide.
What is the SMILES notation for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide?
The canonical SMILES for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide is CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(C(=O)NN)ccc21.
What is the InChIKey of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide?
The InChIKey is KUPPQMMDWDFMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-2-9-28-16-7-6-13(20(29)26-22)11-15(16)25-18(28)12-27-10-8-23-19(27)14-4-3-5-17(21)24-14/h3-8,10-11H,2,9,12,22H2,1H3,(H,26,29).
What are the key properties of 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide?
2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide has a molecular weight of 393.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazole-5-carbohydrazide is sourced from PubChem (CID 22379986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).