1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one

C15H13FN2O — CID 807430

IUPAC1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C15H13FN2O/c1-17-13-8-4-5-9-14(13)18(15(17)19)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyQUXCHFGPVLWDNW-UHFFFAOYSA-N
MW256.28 g/mol
LogP2.53
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one

1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 807430) has the molecular formula C15H13FN2O and a molecular weight of 256.28 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID807430
Molecular FormulaC15H13FN2O
Molecular Weight256.28 g/mol
Exact Mass256.10
IUPAC Name1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(Cc2ccccc2F)c2ccccc21
InChIInChI=1S/C15H13FN2O/c1-17-13-8-4-5-9-14(13)18(15(17)19)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3
InChIKeyQUXCHFGPVLWDNW-UHFFFAOYSA-N
XLogP2.53
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one (CID 807430) is 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(Cc2ccccc2F)c2ccccc21.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is QUXCHFGPVLWDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O/c1-17-13-8-4-5-9-14(13)18(15(17)19)10-11-6-2-3-7-12(11)16/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 256.28 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 807430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).