N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine

C12H13N3O — CID 121317709

IUPACN-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
SMILESON=C1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C12H13N3O/c16-14-9-5-6-10(7-9)15-8-13-11-3-1-2-4-12(11)15/h1-4,8,10,16H,5-7H2
InChIKeyYWEAYGNFFHCVOV-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.59
Rot. Bonds1

About N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine

N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine (PubChem CID 121317709) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
PubChem CID121317709
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine
SMILESON=C1CCC(n2cnc3ccccc32)C1
InChIInChI=1S/C12H13N3O/c16-14-9-5-6-10(7-9)15-8-13-11-3-1-2-4-12(11)15/h1-4,8,10,16H,5-7H2
InChIKeyYWEAYGNFFHCVOV-UHFFFAOYSA-N
XLogP2.59
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
4-(benzimidazol-1-yl)cyclohexane-1-carboxylic acid
CID 82513545
6-(benzimidazol-1-yl)cyclohept-2-en-1-one
CID 101434263
4-(benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 22047977
3-(benzimidazol-1-yl)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314238
3-(benzimidazol-1-yl)-N-methylcyclopentan-1-amine
CID 79643579
1-[4-(benzimidazol-1-yl)piperidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 46090271
1-(2,3-dihydro-1H-inden-1-yl)benzimidazole
CID 54576638
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]benzimidazole
CID 163845555
1-[(3R)-1-propan-2-ylpiperidin-3-yl]benzimidazole
CID 141346102
[3-(benzimidazol-1-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 121193758
3-(benzimidazol-1-yl)-N-propylcyclopentan-1-amine
CID 79644048

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine?
The IUPAC name of N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine (CID 121317709) is N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine is ON=C1CCC(n2cnc3ccccc32)C1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine?
The InChIKey is YWEAYGNFFHCVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-14-9-5-6-10(7-9)15-8-13-11-3-1-2-4-12(11)15/h1-4,8,10,16H,5-7H2.
What are the key properties of N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine?
N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine has a molecular weight of 215.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)cyclopentylidene]hydroxylamine is sourced from PubChem (CID 121317709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).