1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole

C17H23N3O — CID 63870232

IUPAC1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
SMILESc1ccc2c(c1)nc(CCOC1CCNCC1)n2C1CC1
InChIInChI=1S/C17H23N3O/c1-2-4-16-15(3-1)19-17(20(16)13-5-6-13)9-12-21-14-7-10-18-11-8-14/h1-4,13-14,18H,5-12H2
InChIKeyUBSJWTIGQFLZON-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.68
Rot. Bonds5

About 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole

1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole (PubChem CID 63870232) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
PubChem CID63870232
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
SMILESc1ccc2c(c1)nc(CCOC1CCNCC1)n2C1CC1
InChIInChI=1S/C17H23N3O/c1-2-4-16-15(3-1)19-17(20(16)13-5-6-13)9-12-21-14-7-10-18-11-8-14/h1-4,13-14,18H,5-12H2
InChIKeyUBSJWTIGQFLZON-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole (CID 63870232) is 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole is c1ccc2c(c1)nc(CCOC1CCNCC1)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole?
The InChIKey is UBSJWTIGQFLZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-4-16-15(3-1)19-17(20(16)13-5-6-13)9-12-21-14-7-10-18-11-8-14/h1-4,13-14,18H,5-12H2.
What are the key properties of 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole?
1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole has a molecular weight of 285.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole is sourced from PubChem (CID 63870232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).