5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

C14H19N3O2 — CID 115236618

IUPAC5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(=O)CCCN(C)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-10(18)4-3-7-17(2)9-11-5-6-12-13(8-11)16-14(19)15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,16,19)
InChIKeyUEXLTUAHRLDHGR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.66
Rot. Bonds6

About 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one

5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115236618) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115236618
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(=O)CCCN(C)Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-10(18)4-3-7-17(2)9-11-5-6-12-13(8-11)16-14(19)15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,16,19)
InChIKeyUEXLTUAHRLDHGR-UHFFFAOYSA-N
XLogP1.66
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethylphenyl)methyl-methylamino]pentan-2-one
CID 115236560
6-[(4-fluorophenyl)methyl-methylamino]hexan-2-one
CID 62029803
6-[[methyl(3-oxobutyl)amino]methyl]-3H-1,3-benzoxazol-2-one
CID 115235843
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
5-[methyl-[(4-propylphenyl)methyl]amino]pentan-2-one
CID 115236578
3-cyano-N-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115173887
2,2-dimethyl-3-[methyl-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]amino]propanenitrile
CID 115234145
5-[[(3-aminocyclobutyl)methyl-methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115214209
6-[methyl-[(4-methylphenyl)methyl]amino]hexan-2-one
CID 62050969
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
5-[1,3-benzoxazol-6-ylmethyl(methyl)amino]pentan-2-one
CID 115236616

Frequently Asked Questions

What is the IUPAC name of 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one (CID 115236618) is 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is CC(=O)CCCN(C)Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UEXLTUAHRLDHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)4-3-7-17(2)9-11-5-6-12-13(8-11)16-14(19)15-12/h5-6,8H,3-4,7,9H2,1-2H3,(H2,15,16,19).
What are the key properties of 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one?
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115236618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).