5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

C14H19N3O2 — CID 55172165

IUPAC5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC(O)C1CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-8(15-7-13(18)9-2-3-9)10-4-5-11-12(6-10)17-14(19)16-11/h4-6,8-9,13,15,18H,2-3,7H2,1H3,(H2,16,17,19)
InChIKeyWUUAQPRZLFMPIQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.28
Rot. Bonds5

About 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 55172165) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID55172165
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCC(O)C1CC1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-8(15-7-13(18)9-2-3-9)10-4-5-11-12(6-10)17-14(19)16-11/h4-6,8-9,13,15,18H,2-3,7H2,1H3,(H2,16,17,19)
InChIKeyWUUAQPRZLFMPIQ-UHFFFAOYSA-N
XLogP1.28
TPSA80.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-[1-[2-[cyclopropyl(methyl)amino]ethylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62977011
1-cyclopropyl-2-[1-(4-methylphenyl)ethylamino]ethanol
CID 63294182
5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
5-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 103911495
5-[1-[(1-hydroxycycloheptyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 111459413
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
5-[1-[(1-methylcyclopentyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63822548
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 55172165) is 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCC(O)C1CC1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WUUAQPRZLFMPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(15-7-13(18)9-2-3-9)10-4-5-11-12(6-10)17-14(19)16-11/h4-6,8-9,13,15,18H,2-3,7H2,1H3,(H2,16,17,19).
What are the key properties of 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 55172165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).