5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine

C18H18FN7O — CID 141372570

IUPAC5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1nc2nc(N3CCN(c4nc5ccc(F)cc5[nH]4)CC3)ccc2[nH]1
InChIInChI=1S/C18H18FN7O/c1-27-18-22-13-4-5-15(23-16(13)24-18)25-6-8-26(9-7-25)17-20-12-3-2-11(19)10-14(12)21-17/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyNBKVESZYOYHTLW-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.31
Rot. Bonds3

About 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine

5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine (PubChem CID 141372570) has the molecular formula C18H18FN7O and a molecular weight of 367.39 g/mol. Its IUPAC name is 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine
PubChem CID141372570
Molecular FormulaC18H18FN7O
Molecular Weight367.39 g/mol
Exact Mass367.16
IUPAC Name5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine
SMILESCOc1nc2nc(N3CCN(c4nc5ccc(F)cc5[nH]4)CC3)ccc2[nH]1
InChIInChI=1S/C18H18FN7O/c1-27-18-22-13-4-5-15(23-16(13)24-18)25-6-8-26(9-7-25)17-20-12-3-2-11(19)10-14(12)21-17/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,23,24)
InChIKeyNBKVESZYOYHTLW-UHFFFAOYSA-N
XLogP2.31
TPSA85.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine (CID 141372570) is 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine is COc1nc2nc(N3CCN(c4nc5ccc(F)cc5[nH]4)CC3)ccc2[nH]1.
What is the InChIKey of 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine?
The InChIKey is NBKVESZYOYHTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7O/c1-27-18-22-13-4-5-15(23-16(13)24-18)25-6-8-26(9-7-25)17-20-12-3-2-11(19)10-14(12)21-17/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,23,24).
What are the key properties of 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine?
5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine has a molecular weight of 367.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-fluoro-1H-benzimidazol-2-yl)piperazin-1-yl]-2-methoxy-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 141372570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).