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

C14H21N3O — CID 43204325

IUPAC5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCC(CC)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-4-11(5-2)15-9(3)10-6-7-12-13(8-10)17-14(18)16-12/h6-9,11,15H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyBPOOYQYATFJQFX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.70
Rot. Bonds5

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

5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43204325) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43204325
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCC(CC)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-4-11(5-2)15-9(3)10-6-7-12-13(8-10)17-14(18)16-12/h6-9,11,15H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyBPOOYQYATFJQFX-UHFFFAOYSA-N
XLogP2.70
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43371810
5-[1-(4-ethylsulfanylbutan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115898545
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61473489
5-[1-[(1-ethylpyrrol-3-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 66416326
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-[1-[(3-methyltriazol-4-yl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115682676
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-(1-bromo-3-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 114876107

Frequently Asked Questions

What is the IUPAC name of 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43204325) is 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CCC(CC)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BPOOYQYATFJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-11(5-2)15-9(3)10-6-7-12-13(8-10)17-14(18)16-12/h6-9,11,15H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43204325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).