6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole

C19H18FN5O — CID 70740125

IUPAC6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCCN3Cc3ccc(-c4ccn[nH]4)o3)[nH]c2c1
InChIInChI=1S/C19H18FN5O/c20-12-3-5-14-16(10-12)23-19(22-14)17-2-1-9-25(17)11-13-4-6-18(26-13)15-7-8-21-24-15/h3-8,10,17H,1-2,9,11H2,(H,21,24)(H,22,23)
InChIKeyXFZMREGEILOMSP-UHFFFAOYSA-N
MW351.39 g/mol
LogP4.02
Rot. Bonds4

About 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole

6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 70740125) has the molecular formula C19H18FN5O and a molecular weight of 351.39 g/mol. Its IUPAC name is 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID70740125
Molecular FormulaC19H18FN5O
Molecular Weight351.39 g/mol
Exact Mass351.15
IUPAC Name6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCCN3Cc3ccc(-c4ccn[nH]4)o3)[nH]c2c1
InChIInChI=1S/C19H18FN5O/c20-12-3-5-14-16(10-12)23-19(22-14)17-2-1-9-25(17)11-13-4-6-18(26-13)15-7-8-21-24-15/h3-8,10,17H,1-2,9,11H2,(H,21,24)(H,22,23)
InChIKeyXFZMREGEILOMSP-UHFFFAOYSA-N
XLogP4.02
TPSA73.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole with MolForge

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Related Compounds

N-[4-(5-furan-2-yl-3-methyl-1h-pyrazol-4-yl)butyl]-n-methyl-7h-purin-6-amine
CID 46238526
(E)-2-(1H-benzimidazol-2-yl)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enenitrile
CID 6146862
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-[(1-methyl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 16187303
4-[4-[4-(5-Methylfuran-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]butanenitrile
CID 164612264
3-[4-[4-(5-Methylfuran-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]propanenitrile
CID 164616681
1H-Benzimidazolium, 3-(2-ethoxy-2-oxoethyl)-1-methyl-2-(5-(1-phenyl-1H-pyrazol-3-yl)-2-furanyl)-, bromide (1:1)
CID 166330
2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
CID 2110554
6-fluoro-2-[5-[[4-[[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxymethyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
CID 155517770
6-fluoro-2-[5-[[4-[3-[1-[[5-(6-fluoro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]propyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
CID 155523579
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
CID 163215614
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole
CID 163215616
(2S)-1-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 57680654

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole (CID 70740125) is 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole is Fc1ccc2nc(C3CCCN3Cc3ccc(-c4ccn[nH]4)o3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is XFZMREGEILOMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O/c20-12-3-5-14-16(10-12)23-19(22-14)17-2-1-9-25(17)11-13-4-6-18(26-13)15-7-8-21-24-15/h3-8,10,17H,1-2,9,11H2,(H,21,24)(H,22,23).
What are the key properties of 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole?
6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 351.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 70740125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).