1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole

C18H21N3O — CID 665081

IUPAC1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole
SMILESCn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21
InChIInChI=1S/C18H21N3O/c1-20-16-8-4-3-7-15(16)19-18(20)17-10-9-14(22-17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyLAZKNAIDXUVRLT-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.82
Rot. Bonds3

About 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole

1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole (PubChem CID 665081) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole
PubChem CID665081
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole
SMILESCn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21
InChIInChI=1S/C18H21N3O/c1-20-16-8-4-3-7-15(16)19-18(20)17-10-9-14(22-17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3
InChIKeyLAZKNAIDXUVRLT-UHFFFAOYSA-N
XLogP3.82
TPSA34.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole (CID 665081) is 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole is Cn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole?
The InChIKey is LAZKNAIDXUVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20-16-8-4-3-7-15(16)19-18(20)17-10-9-14(22-17)13-21-11-5-2-6-12-21/h3-4,7-10H,2,5-6,11-13H2,1H3.
What are the key properties of 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole?
1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole is sourced from PubChem (CID 665081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).