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

C15H14FN3O — CID 51370538

IUPAC5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NCc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O/c1-9-6-13-14(19-15(20)18-13)7-12(9)17-8-10-2-4-11(16)5-3-10/h2-7,17H,8H2,1H3,(H2,18,19,20)
InChIKeyKFPRDQDWAAYALL-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.92
Rot. Bonds3

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

5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 51370538) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID51370538
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NCc1ccc(F)cc1
InChIInChI=1S/C15H14FN3O/c1-9-6-13-14(19-15(20)18-13)7-12(9)17-8-10-2-4-11(16)5-3-10/h2-7,17H,8H2,1H3,(H2,18,19,20)
InChIKeyKFPRDQDWAAYALL-UHFFFAOYSA-N
XLogP2.92
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one (CID 51370538) is 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one is Cc1cc2[nH]c(=O)[nH]c2cc1NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is KFPRDQDWAAYALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-6-13-14(19-15(20)18-13)7-12(9)17-8-10-2-4-11(16)5-3-10/h2-7,17H,8H2,1H3,(H2,18,19,20).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one?
5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 271.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-6-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 51370538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).