5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one

C13H15N3O2 — CID 110723904

IUPAC5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(C(=O)C3CCCC3)c2c1
InChIInChI=1S/C13H15N3O2/c14-9-5-6-10-11(7-9)16(13(18)15-10)12(17)8-3-1-2-4-8/h5-8H,1-4,14H2,(H,15,18)
InChIKeyWBCNTFMOFXUZIU-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.74
Rot. Bonds1

About 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one

5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one (PubChem CID 110723904) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one
PubChem CID110723904
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one
SMILESNc1ccc2[nH]c(=O)n(C(=O)C3CCCC3)c2c1
InChIInChI=1S/C13H15N3O2/c14-9-5-6-10-11(7-9)16(13(18)15-10)12(17)8-3-1-2-4-8/h5-8H,1-4,14H2,(H,15,18)
InChIKeyWBCNTFMOFXUZIU-UHFFFAOYSA-N
XLogP1.74
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-(cyclopropanecarbonyl)-1H-benzimidazol-2-one
CID 110723889
5-amino-N-cyclopentyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110748262
6-amino-3-(5-oxopyrrolidine-2-carbonyl)-1H-benzimidazol-2-one
CID 110743833
benzyl 6-amino-2-oxo-3H-benzimidazole-1-carboxylate
CID 110724011
N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-3-methyl-2-oxo-1H-benzimidazole-5-carboxamide
CID 127642059
5-amino-3-[[1-(hydroxymethyl)cyclohexyl]methyl]-1H-benzimidazol-2-one
CID 110491664
5-amino-3-[2-(2-fluorophenoxy)acetyl]-1H-benzimidazol-2-one
CID 110724076
3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 110491555
5-amino-3-[2-(3-methoxyphenyl)acetyl]-1H-benzimidazol-2-one
CID 110724068
6-amino-3-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 110867639
6-amino-N-cyclohexyl-5-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874386
5-amino-N-cyclohexyl-6-methyl-2-oxo-3H-benzimidazole-1-carboxamide
CID 110874385

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one?
The IUPAC name of 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one (CID 110723904) is 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one?
The canonical SMILES for 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one is Nc1ccc2[nH]c(=O)n(C(=O)C3CCCC3)c2c1.
What is the InChIKey of 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one?
The InChIKey is WBCNTFMOFXUZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-5-6-10-11(7-9)16(13(18)15-10)12(17)8-3-1-2-4-8/h5-8H,1-4,14H2,(H,15,18).
What are the key properties of 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one?
5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(cyclopentanecarbonyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 110723904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).