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

C16H21N3 — CID 79615142

IUPAC1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)nc(CC1CCNCC1)n2C1CC1
InChIInChI=1S/C16H21N3/c1-2-4-15-14(3-1)18-16(19(15)13-5-6-13)11-12-7-9-17-10-8-12/h1-4,12-13,17H,5-11H2
InChIKeyFXUUAKVMGLDZQQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds3

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

1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 79615142) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
PubChem CID79615142
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)nc(CC1CCNCC1)n2C1CC1
InChIInChI=1S/C16H21N3/c1-2-4-15-14(3-1)18-16(19(15)13-5-6-13)11-12-7-9-17-10-8-12/h1-4,12-13,17H,5-11H2
InChIKeyFXUUAKVMGLDZQQ-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole (CID 79615142) is 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole is c1ccc2c(c1)nc(CC1CCNCC1)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is FXUUAKVMGLDZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-4-15-14(3-1)18-16(19(15)13-5-6-13)11-12-7-9-17-10-8-12/h1-4,12-13,17H,5-11H2.
What are the key properties of 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 79615142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).