5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride

C14H13ClFN3O — CID 17060042

IUPAC5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(NCc3ccccc3F)cc2[nH]1
InChIInChI=1S/C14H12FN3O.ClH/c15-11-4-2-1-3-9(11)8-16-10-5-6-12-13(7-10)18-14(19)17-12;/h1-7,16H,8H2,(H2,17,18,19);1H
InChIKeyIBPUQICKKDXDIW-UHFFFAOYSA-N
MW293.73 g/mol
LogP3.03
Rot. Bonds3

About 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride

5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride (PubChem CID 17060042) has the molecular formula C14H13ClFN3O and a molecular weight of 293.73 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
PubChem CID17060042
Molecular FormulaC14H13ClFN3O
Molecular Weight293.73 g/mol
Exact Mass293.07
IUPAC Name5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
SMILESCl.O=c1[nH]c2ccc(NCc3ccccc3F)cc2[nH]1
InChIInChI=1S/C14H12FN3O.ClH/c15-11-4-2-1-3-9(11)8-16-10-5-6-12-13(7-10)18-14(19)17-12;/h1-7,16H,8H2,(H2,17,18,19);1H
InChIKeyIBPUQICKKDXDIW-UHFFFAOYSA-N
XLogP3.03
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 53.03
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-[[3-[(2-fluorophenyl)methoxy]phenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060219
5-[(4-fluoro-2-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 62125418
5-[(3-chloro-4-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 81143259
5-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060210
5-[(3,5-dimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 60688526
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955
4-N-[(2-fluorophenyl)methyl]benzene-1,2,4-triamine
CID 106750257
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
5-[(2,4,6-trimethylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 28622210
5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one
CID 115994190
5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43483587
5-(3-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 28622281

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The IUPAC name of 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride (CID 17060042) is 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride.
What is the SMILES notation for 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The canonical SMILES for 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride is Cl.O=c1[nH]c2ccc(NCc3ccccc3F)cc2[nH]1.
What is the InChIKey of 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
The InChIKey is IBPUQICKKDXDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O.ClH/c15-11-4-2-1-3-9(11)8-16-10-5-6-12-13(7-10)18-14(19)17-12;/h1-7,16H,8H2,(H2,17,18,19);1H.
What are the key properties of 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride?
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride has a molecular weight of 293.73 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride is sourced from PubChem (CID 17060042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).