5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

C15H14FN3O2 — CID 102882549

IUPAC5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(F)c1
InChIInChI=1S/C15H14FN3O2/c1-21-9-3-4-10(11(16)7-9)14(17)8-2-5-12-13(6-8)19-15(20)18-12/h2-7,14H,17H2,1H3,(H2,18,19,20)
InChIKeySRLCBAFMDDGRND-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.05
Rot. Bonds3

About 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 102882549) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID102882549
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCOc1ccc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(F)c1
InChIInChI=1S/C15H14FN3O2/c1-21-9-3-4-10(11(16)7-9)14(17)8-2-5-12-13(6-8)19-15(20)18-12/h2-7,14H,17H2,1H3,(H2,18,19,20)
InChIKeySRLCBAFMDDGRND-UHFFFAOYSA-N
XLogP2.05
TPSA83.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[amino-(2-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186842
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
5-[amino-(3-methoxy-4-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186872
(2-fluoro-4-methoxyphenyl)-(1H-pyrazol-4-yl)methanamine
CID 82237946
5-[amino-(5-fluoro-2-methylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63048076
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 61032943
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 43561305
5-[amino-(2,4-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186829
(S)-(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239584
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 102882549) is 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is COc1ccc(C(N)c2ccc3[nH]c(=O)[nH]c3c2)c(F)c1.
What is the InChIKey of 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is SRLCBAFMDDGRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-21-9-3-4-10(11(16)7-9)14(17)8-2-5-12-13(6-8)19-15(20)18-12/h2-7,14H,17H2,1H3,(H2,18,19,20).
What are the key properties of 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 287.29 g/mol, XLogP of 2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-fluoro-4-methoxyphenyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 102882549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).