5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one

C16H16N4O — CID 695838

IUPAC5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)13-6-3-11(4-7-13)10-17-12-5-8-14-15(9-12)19-16(21)18-14/h3-10H,1-2H3,(H2,18,19,21)/b17-10+
InChIKeyOVWYHWQRJZASLZ-LICLKQGHSA-N
MW280.33 g/mol
LogP2.67
Rot. Bonds3

About 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one

5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 695838) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID695838
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H16N4O/c1-20(2)13-6-3-11(4-7-13)10-17-12-5-8-14-15(9-12)19-16(21)18-14/h3-10H,1-2H3,(H2,18,19,21)/b17-10+
InChIKeyOVWYHWQRJZASLZ-LICLKQGHSA-N
XLogP2.67
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one (CID 695838) is 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one is CN(C)c1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is OVWYHWQRJZASLZ-LICLKQGHSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)13-6-3-11(4-7-13)10-17-12-5-8-14-15(9-12)19-16(21)18-14/h3-10H,1-2H3,(H2,18,19,21)/b17-10+.
What are the key properties of 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one?
5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(dimethylamino)phenyl]methylideneamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 695838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).