5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C17H19N3O — CID 43483588

IUPAC5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1C
InChIInChI=1S/C17H19N3O/c1-10-4-6-13(11(2)8-10)16(18-3)12-5-7-14-15(9-12)20-17(21)19-14/h4-9,16,18H,1-3H3,(H2,19,20,21)
InChIKeyJJBROSFOPGZDGA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.78
Rot. Bonds3

About 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483588) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483588
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1C
InChIInChI=1S/C17H19N3O/c1-10-4-6-13(11(2)8-10)16(18-3)12-5-7-14-15(9-12)20-17(21)19-14/h4-9,16,18H,1-3H3,(H2,19,20,21)
InChIKeyJJBROSFOPGZDGA-UHFFFAOYSA-N
XLogP2.78
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81479731
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
4-[(2,4-dimethylphenyl)-(methylamino)methyl]aniline
CID 116952017
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
1-(3,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 43481207
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
1-(4-chloro-3-fluorophenyl)-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 107993091
1-(2,4-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299389
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43483588) is 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C)cc1C.
What is the InChIKey of 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JJBROSFOPGZDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-4-6-13(11(2)8-10)16(18-3)12-5-7-14-15(9-12)20-17(21)19-14/h4-9,16,18H,1-3H3,(H2,19,20,21).
What are the key properties of 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).