5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C11H13N3O2 — CID 115234767

IUPAC5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(=O)CNCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O2/c1-7(15)5-12-6-8-2-3-9-10(4-8)14-11(16)13-9/h2-4,12H,5-6H2,1H3,(H2,13,14,16)
InChIKeyKNYSCPXKXVPQDD-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.53
Rot. Bonds4

About 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115234767) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115234767
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(=O)CNCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H13N3O2/c1-7(15)5-12-6-8-2-3-9-10(4-8)14-11(16)13-9/h2-4,12H,5-6H2,1H3,(H2,13,14,16)
InChIKeyKNYSCPXKXVPQDD-UHFFFAOYSA-N
XLogP0.53
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
2-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]butanoic acid
CID 115249939
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115195337
2-methyl-2-(methylamino)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115165741
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
2-amino-N-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116849123
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
4-oxo-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]butanoic acid
CID 82501247
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
5-[(methylsulfamoylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 22745215
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245288

Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 115234767) is 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CC(=O)CNCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KNYSCPXKXVPQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7(15)5-12-6-8-2-3-9-10(4-8)14-11(16)13-9/h2-4,12H,5-6H2,1H3,(H2,13,14,16).
What are the key properties of 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 219.24 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115234767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).