5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one

C13H19N3O — CID 116964358

IUPAC5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)C
InChIInChI=1S/C13H19N3O/c1-8(2)10(7-14-3)9-4-5-11-12(6-9)16-13(17)15-11/h4-6,8,10,14H,7H2,1-3H3,(H2,15,16,17)
InChIKeyCNNZTEQBCGALGJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.82
Rot. Bonds4

About 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one

5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 116964358) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID116964358
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one
SMILESCNCC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)C
InChIInChI=1S/C13H19N3O/c1-8(2)10(7-14-3)9-4-5-11-12(6-9)16-13(17)15-11/h4-6,8,10,14H,7H2,1-3H3,(H2,15,16,17)
InChIKeyCNNZTEQBCGALGJ-UHFFFAOYSA-N
XLogP1.82
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 20613953
4-methyl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pentanoic acid
CID 82118893
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-(1-hydroxypropan-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 117283003
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
5-[1-(pentan-3-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43204325
5-[1-(dimethylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 116914662
5-[1-[(2-cyclopropyl-2-hydroxyethyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 55172165
5-(1-amino-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 43186846
5-(1-bromo-3-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 114876107

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one (CID 116964358) is 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one is CNCC(c1ccc2[nH]c(=O)[nH]c2c1)C(C)C.
What is the InChIKey of 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CNNZTEQBCGALGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)10(7-14-3)9-4-5-11-12(6-9)16-13(17)15-11/h4-6,8,10,14H,7H2,1-3H3,(H2,15,16,17).
What are the key properties of 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one?
5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-1-(methylamino)butan-2-yl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).