5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C14H19N3O2 — CID 83229540

IUPAC5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NOC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-9(17-19-11-4-2-3-5-11)10-6-7-12-13(8-10)16-14(18)15-12/h6-9,11,17H,2-5H2,1H3,(H2,15,16,18)
InChIKeyHXUDDJNLCFZHFA-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.38
Rot. Bonds4

About 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 83229540) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID83229540
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NOC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-9(17-19-11-4-2-3-5-11)10-6-7-12-13(8-10)16-14(18)15-12/h6-9,11,17H,2-5H2,1H3,(H2,15,16,18)
InChIKeyHXUDDJNLCFZHFA-UHFFFAOYSA-N
XLogP2.38
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-[(4-cyclohexyloxycyclohexyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 167769505
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
N-cyclopentyloxy-1-(4-fluorophenyl)ethanamine
CID 83229680
N-cyclopentyloxy-1-(4-propan-2-ylphenyl)ethanamine
CID 83229349
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266
N-cyclopentyloxy-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 83228556
N-cyclopentyloxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 83229768
N-cyclopentyloxy-1-(4-iodophenyl)ethanamine
CID 83229254
1-(4-chloro-3-fluorophenyl)-N-cyclopentyloxyethanamine
CID 83229220
5-[1-(oxepan-4-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 65081705

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 83229540) is 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NOC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HXUDDJNLCFZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(17-19-11-4-2-3-5-11)10-6-7-12-13(8-10)16-14(18)15-12/h6-9,11,17H,2-5H2,1H3,(H2,15,16,18).
What are the key properties of 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentyloxyamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 83229540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).