3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one

C21H25N5O2 — CID 138993159

IUPAC3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
SMILESO=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C21H25N5O2/c27-20(24-10-7-16(8-11-24)25-12-9-22-14-25)15-5-6-19-18(13-15)23-21(28)26(19)17-3-1-2-4-17/h5-6,9,12-14,16-17H,1-4,7-8,10-11H2,(H,23,28)
InChIKeyJZEFJSODXUZCKW-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.12
Rot. Bonds3

About 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one

3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one (PubChem CID 138993159) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
PubChem CID138993159
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one
SMILESO=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C21H25N5O2/c27-20(24-10-7-16(8-11-24)25-12-9-22-14-25)15-5-6-19-18(13-15)23-21(28)26(19)17-3-1-2-4-17/h5-6,9,12-14,16-17H,1-4,7-8,10-11H2,(H,23,28)
InChIKeyJZEFJSODXUZCKW-UHFFFAOYSA-N
XLogP3.12
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one (CID 138993159) is 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one is O=C(c1ccc2c(c1)[nH]c(=O)n2C1CCCC1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
The InChIKey is JZEFJSODXUZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(24-10-7-16(8-11-24)25-12-9-22-14-25)15-5-6-19-18(13-15)23-21(28)26(19)17-3-1-2-4-17/h5-6,9,12-14,16-17H,1-4,7-8,10-11H2,(H,23,28).
What are the key properties of 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one?
3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one has a molecular weight of 379.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-6-(4-imidazol-1-ylpiperidine-1-carbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 138993159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).