2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

C29H35N3O — CID 25208249

IUPAC2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
SMILESCC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1
InChIInChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
InChIKeyAGSZYJIDXUVIHA-UHFFFAOYSA-N
MW441.62 g/mol
LogP7.59
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole

2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole (PubChem CID 25208249) has the molecular formula C29H35N3O and a molecular weight of 441.62 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
PubChem CID25208249
Molecular FormulaC29H35N3O
Molecular Weight441.62 g/mol
Exact Mass441.28
IUPAC Name2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole
SMILESCC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1
InChIInChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3
InChIKeyAGSZYJIDXUVIHA-UHFFFAOYSA-N
XLogP7.59
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.62
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

AC1903
CID 667146
2-Furan-2-yl-1-methyl-1H-naphtho[2,3-d]imidazole
CID 649492
1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
6-Benzofuran-2-yl-2-methyl-4-piperidin-1-yl-5H-pyrrolo[3,2-d]pyrimidine
CID 10471957
1-Methyl-2-(5-methyl-2-furanyl)-1H-benzimidazole
CID 806167
4-(4-Methylpiperazin-1-yl)-2-phenyl[1]benzofuro[3,2-d]pyrimidine
CID 661358
6-(5-Methylfuran-2-yl)-5,6-dihydrobenzimidazo[1,2-c]quinazoline
CID 2997938
6-(Furan-2-yl)-6,12-dihydrobenzimidazolo[1,2-c]quinazoline
CID 2998157
2-Ethyl-4-(piperidin-1-yl)benzofuro[3,2-d]pyrimidine hydrochloride
CID 6602805
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
2-(4-fluorophenyl)-1-(furan-2-ylmethyl)-1H-imidazo[4,5-b]quinoxaline
CID 662008
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 24737947

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The IUPAC name of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole (CID 25208249) is 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The canonical SMILES for 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole is CC1(N2CCC(n3c(-c4cc5ccccc5o4)nc4ccccc43)CC2)CCCCCCC1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
The InChIKey is AGSZYJIDXUVIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O/c1-29(17-9-3-2-4-10-18-29)31-19-15-23(16-20-31)32-25-13-7-6-12-24(25)30-28(32)27-21-22-11-5-8-14-26(22)33-27/h5-8,11-14,21,23H,2-4,9-10,15-20H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole?
2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole has a molecular weight of 441.62 g/mol, XLogP of 7.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-1-[1-(1-methylcyclooctyl)piperidin-4-yl]benzimidazole is sourced from PubChem (CID 25208249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).