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

C14H11F2N3O — CID 43186862

IUPAC5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cc(F)cc(F)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11F2N3O/c15-9-3-8(4-10(16)6-9)13(17)7-1-2-11-12(5-7)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyZYCPJXIEYXDCJU-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.18
Rot. Bonds2

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

5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43186862) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43186862
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cc(F)cc(F)c1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11F2N3O/c15-9-3-8(4-10(16)6-9)13(17)7-1-2-11-12(5-7)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20)
InChIKeyZYCPJXIEYXDCJU-UHFFFAOYSA-N
XLogP2.18
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186832
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
5-[bromo-(3-fluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61096909
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
5-(1-amino-2-methylpropyl)-1,3-dihydrobenzimidazol-2-one
CID 43186831
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 102882549
5-(1-amino-2-hydroxyethyl)-1,3-dihydrobenzimidazol-2-one
CID 83530993
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
5-[amino-(4-fluorophenyl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62375735

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43186862) is 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is NC(c1cc(F)cc(F)c1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ZYCPJXIEYXDCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-9-3-8(4-10(16)6-9)13(17)7-1-2-11-12(5-7)19-14(20)18-11/h1-6,13H,17H2,(H2,18,19,20).
What are the key properties of 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 275.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43186862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).