5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

C15H14FN3O — CID 62125418

IUPAC5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(F)ccc1CNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O/c1-9-6-11(16)3-2-10(9)8-17-12-4-5-13-14(7-12)19-15(20)18-13/h2-7,17H,8H2,1H3,(H2,18,19,20)
InChIKeyGMUXVEMXWWQHGM-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.92
Rot. Bonds3

About 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one

5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62125418) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID62125418
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCc1cc(F)ccc1CNc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O/c1-9-6-11(16)3-2-10(9)8-17-12-4-5-13-14(7-12)19-15(20)18-13/h2-7,17H,8H2,1H3,(H2,18,19,20)
InChIKeyGMUXVEMXWWQHGM-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

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
5-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060210
4-[(4-fluoro-2-methylphenyl)methylamino]benzenesulfonamide
CID 62124000
5-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66542410
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 43644891
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
2-chloro-5-[(4-fluoro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 62134778

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one (CID 62125418) is 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is Cc1cc(F)ccc1CNc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GMUXVEMXWWQHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-9-6-11(16)3-2-10(9)8-17-12-4-5-13-14(7-12)19-15(20)18-13/h2-7,17H,8H2,1H3,(H2,18,19,20).
What are the key properties of 5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one?
5-[(4-fluoro-2-methylphenyl)methylamino]-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-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62125418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).