3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one

C15H13FN2O — CID 117206721

IUPAC3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2c1[nH]c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-10-3-2-4-13-14(10)17-15(19)18(13)9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyJNIZVOAQOPLDPZ-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.83
Rot. Bonds2

About 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one

3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one (PubChem CID 117206721) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
PubChem CID117206721
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one
SMILESCc1cccc2c1[nH]c(=O)n2Cc1ccc(F)cc1
InChIInChI=1S/C15H13FN2O/c1-10-3-2-4-13-14(10)17-15(19)18(13)9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,17,19)
InChIKeyJNIZVOAQOPLDPZ-UHFFFAOYSA-N
XLogP2.83
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one (CID 117206721) is 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one is Cc1cccc2c1[nH]c(=O)n2Cc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
The InChIKey is JNIZVOAQOPLDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-10-3-2-4-13-14(10)17-15(19)18(13)9-11-5-7-12(16)8-6-11/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one?
3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one has a molecular weight of 256.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117206721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).