5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

C15H23N3O2 — CID 103911495

IUPAC5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(CO)CCCNC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O2/c1-10(9-19)4-3-7-16-11(2)12-5-6-13-14(8-12)18-15(20)17-13/h5-6,8,10-11,16,19H,3-4,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyPQUMMNRSBDGENA-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.92
Rot. Bonds7

About 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 103911495) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID103911495
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(CO)CCCNC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O2/c1-10(9-19)4-3-7-16-11(2)12-5-6-13-14(8-12)18-15(20)17-13/h5-6,8,10-11,16,19H,3-4,7,9H2,1-2H3,(H2,17,18,20)
InChIKeyPQUMMNRSBDGENA-UHFFFAOYSA-N
XLogP1.92
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[1-[2-(3-hydroxypropylsulfanyl)ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103910694
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
5-[1-[4-methoxy-3-(methoxymethyl)phenyl]ethylamino]-2-methylpentan-1-ol
CID 103905531
5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62977011
6-[1-(propylamino)ethyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495873
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-[(5-methyl-2-pyridinyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 80711965
N-(2-methoxyethyl)-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]acetamide
CID 115898285
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 103911495) is 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(CO)CCCNC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PQUMMNRSBDGENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(9-19)4-3-7-16-11(2)12-5-6-13-14(8-12)18-15(20)17-13/h5-6,8,10-11,16,19H,3-4,7,9H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 277.37 g/mol, XLogP of 1.92, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103911495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).