2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

C22H24N4O — CID 56948840

IUPAC2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2nc3ccccc3[nH]2)c2cccc3cc[nH]c23)CC1
InChIInChI=1S/C22H24N4O/c1-26-13-10-16(11-14-26)27-21(17-6-4-5-15-9-12-23-20(15)17)22-24-18-7-2-3-8-19(18)25-22/h2-9,12,16,21,23H,10-11,13-14H2,1H3,(H,24,25)
InChIKeyMLRBRCVCRAJKAJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.24
Rot. Bonds4

About 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole

2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (PubChem CID 56948840) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
PubChem CID56948840
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
SMILESCN1CCC(OC(c2nc3ccccc3[nH]2)c2cccc3cc[nH]c23)CC1
InChIInChI=1S/C22H24N4O/c1-26-13-10-16(11-14-26)27-21(17-6-4-5-15-9-12-23-20(15)17)22-24-18-7-2-3-8-19(18)25-22/h2-9,12,16,21,23H,10-11,13-14H2,1H3,(H,24,25)
InChIKeyMLRBRCVCRAJKAJ-UHFFFAOYSA-N
XLogP4.24
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-3-iodophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512806
2-[(S)-1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]-6-fluorophenol;hydrate
CID 146471919
2-[(2,5-difluorophenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512981
4-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenol
CID 66836297
2-[(1-methylpiperidin-4-yl)oxy-thiophen-2-ylmethyl]-1H-benzimidazole
CID 66835877
2-[(3-fluoro-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 66836132
2-[1,3-benzodioxol-5-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512834
2-[(1-methylpiperidin-4-yl)oxy-(3-pyridin-3-ylphenyl)methyl]-1H-benzimidazole
CID 56948240
2-[(3-ethylsulfanyl-4-methylphenyl)-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole
CID 67512953
3-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenoxy]propan-1-amine
CID 67512767
5-[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]sulfanylpentan-1-amine
CID 66836172
2-[[3-[1H-benzimidazol-2-yl-(1-methylpiperidin-4-yl)oxymethyl]phenyl]methoxy]-2-oxoacetic acid
CID 66836153

Frequently Asked Questions

What is the IUPAC name of 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The IUPAC name of 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole (CID 56948840) is 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The canonical SMILES for 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is CN1CCC(OC(c2nc3ccccc3[nH]2)c2cccc3cc[nH]c23)CC1.
What is the InChIKey of 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
The InChIKey is MLRBRCVCRAJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-26-13-10-16(11-14-26)27-21(17-6-4-5-15-9-12-23-20(15)17)22-24-18-7-2-3-8-19(18)25-22/h2-9,12,16,21,23H,10-11,13-14H2,1H3,(H,24,25).
What are the key properties of 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole?
2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole has a molecular weight of 360.46 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-indol-7-yl-(1-methylpiperidin-4-yl)oxymethyl]-1H-benzimidazole is sourced from PubChem (CID 56948840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).