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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Related Compounds

1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 56868374
3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719056
(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 56710024
N-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 77086927
2-[5-(4-isocyanophenyl)furan-2-yl]-1-methylbenzimidazole
CID 164723785
N-[4-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]-2-piperidin-1-ylacetamide
CID 139222094
2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
CID 102109258
[5-(azocan-1-ylmethyl)furan-2-yl]methanol
CID 115879764
2-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]benzimidazol-1-yl]ethanol
CID 94757522
2-(2,6-dibromophenyl)-1-methylbenzimidazole
CID 130205790
1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167

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).