5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one

C13H19N3O — CID 43483534

IUPAC5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C
InChIInChI=1S/C13H19N3O/c1-13(2,3)11(14-4)8-5-6-9-10(7-8)16-12(17)15-9/h5-7,11,14H,1-4H3,(H2,15,16,17)
InChIKeyTTWOCRPZPYKNRB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.16
Rot. Bonds2

About 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one

5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483534) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483534
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C
InChIInChI=1S/C13H19N3O/c1-13(2,3)11(14-4)8-5-6-9-10(7-8)16-12(17)15-9/h5-7,11,14H,1-4H3,(H2,15,16,17)
InChIKeyTTWOCRPZPYKNRB-UHFFFAOYSA-N
XLogP2.16
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2,2-dimethyl-1-(propylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 62679554
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122
5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
CID 116964358
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
5-[(1-aminocyclopropyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116961253
5-(1-amino-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 55260322

Frequently Asked Questions

What is the IUPAC name of 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one (CID 43483534) is 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)(C)C.
What is the InChIKey of 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is TTWOCRPZPYKNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)11(14-4)8-5-6-9-10(7-8)16-12(17)15-9/h5-7,11,14H,1-4H3,(H2,15,16,17).
What are the key properties of 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).