3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one

C22H25N5O2 — CID 3046832

IUPAC3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25N5O2/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29)
InChIKeyOBHDXMCUKJATHF-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.70
Rot. Bonds5

About 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one

3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one (PubChem CID 3046832) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
PubChem CID3046832
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25N5O2/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29)
InChIKeyOBHDXMCUKJATHF-UHFFFAOYSA-N
XLogP2.70
TPSA78.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one (CID 3046832) is 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
The InChIKey is OBHDXMCUKJATHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-21-23-17-6-1-3-8-19(17)26(21)13-5-12-25-14-10-16(11-15-25)27-20-9-4-2-7-18(20)24-22(27)29/h1-4,6-9,16H,5,10-15H2,(H,23,28)(H,24,29).
What are the key properties of 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one?
3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 3046832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).