5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C15H14FN3O — CID 63048076

IUPAC5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(F)cc1C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O/c1-8-2-4-10(16)7-11(8)14(17)9-3-5-12-13(6-9)19-15(20)18-12/h2-7,14H,17H2,1H3,(H2,18,19,20)
InChIKeyYENYFVKDHVZERK-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.35
Rot. Bonds2

About 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 63048076) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID63048076
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(F)cc1C(N)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O/c1-8-2-4-10(16)7-11(8)14(17)9-3-5-12-13(6-9)19-15(20)18-12/h2-7,14H,17H2,1H3,(H2,18,19,20)
InChIKeyYENYFVKDHVZERK-UHFFFAOYSA-N
XLogP2.35
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186862
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735
5-[(3-fluoro-4-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 61086954
(5-fluoro-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 63048762
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino(phenyl)methyl]-6-methyl-1,3-dihydrobenzimidazol-2-one
CID 82174406
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
(4-fluoro-3-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 115851839

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 63048076) is 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccc(F)cc1C(N)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YENYFVKDHVZERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-8-2-4-10(16)7-11(8)14(17)9-3-5-12-13(6-9)19-15(20)18-12/h2-7,14H,17H2,1H3,(H2,18,19,20).
What are the key properties of 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 271.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 63048076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).