5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C15H23N3O — CID 43371810

IUPAC5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(C)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-9(2)7-10(3)16-11(4)12-5-6-13-14(8-12)18-15(19)17-13/h5-6,8-11,16H,7H2,1-4H3,(H2,17,18,19)
InChIKeyAVTJKPNRIUTNIS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.94
Rot. Bonds5

About 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43371810) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43371810
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C)CC(C)NC(C)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H23N3O/c1-9(2)7-10(3)16-11(4)12-5-6-13-14(8-12)18-15(19)17-13/h5-6,8-11,16H,7H2,1-4H3,(H2,17,18,19)
InChIKeyAVTJKPNRIUTNIS-UHFFFAOYSA-N
XLogP2.94
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(4-ethylsulfanylbutan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115898545
5-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 61473489
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-[1-(1-thiophen-3-ylethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62090338
3-methyl-2-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethylamino]butanamide
CID 106344304
5-[1-(3-aminopropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 60888561
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[1-(cyclopentylmethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43370774
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43371810) is 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CC(C)CC(C)NC(C)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AVTJKPNRIUTNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9(2)7-10(3)16-11(4)12-5-6-13-14(8-12)18-15(19)17-13/h5-6,8-11,16H,7H2,1-4H3,(H2,17,18,19).
What are the key properties of 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylpentan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43371810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).