5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C17H19N3O — CID 28622210

IUPAC5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C)c(CNc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H19N3O/c1-10-6-11(2)14(12(3)7-10)9-18-13-4-5-15-16(8-13)20-17(21)19-15/h4-8,18H,9H2,1-3H3,(H2,19,20,21)
InChIKeyUMBYMSZGRHPGLC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.39
Rot. Bonds3

About 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 28622210) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID28622210
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(C)c(CNc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1
InChIInChI=1S/C17H19N3O/c1-10-6-11(2)14(12(3)7-10)9-18-13-4-5-15-16(8-13)20-17(21)19-15/h4-8,18H,9H2,1-3H3,(H2,19,20,21)
InChIKeyUMBYMSZGRHPGLC-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_A(5)', 'substructure': 'N/A'}

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Related Compounds

5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
5-[(2,4,6-trimethylphenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741465
5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 62125418
5-(2-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 43201929
methyl 2,2-dimethyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propanoate
CID 115233592
5-[(6-bromo-2,3-dimethoxyphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66543511
5-(3-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 28622281
5-[(2-cyclopropylpyrimidin-5-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 154802170
5-[(3-methyloxetan-3-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 107234691
5-(1,3-thiazol-5-ylmethylamino)-1,3-dihydrobenzimidazol-2-one
CID 55110337

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 28622210) is 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1cc(C)c(CNc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1.
What is the InChIKey of 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is UMBYMSZGRHPGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-6-11(2)14(12(3)7-10)9-18-13-4-5-15-16(8-13)20-17(21)19-15/h4-8,18H,9H2,1-3H3,(H2,19,20,21).
What are the key properties of 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 281.36 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 28622210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).