1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine

C15H14FN3O2 — CID 43661963

IUPAC1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3cc(F)ccc32)cc1OC
InChIInChI=1S/C15H14FN3O2/c1-20-13-6-4-10(8-14(13)21-2)19-12-5-3-9(16)7-11(12)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyQQFYWXIWZQGDGD-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.76
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine

1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 43661963) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
PubChem CID43661963
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Name1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
SMILESCOc1ccc(-n2c(N)nc3cc(F)ccc32)cc1OC
InChIInChI=1S/C15H14FN3O2/c1-20-13-6-4-10(8-14(13)21-2)19-12-5-3-9(16)7-11(12)18-15(19)17/h3-8H,1-2H3,(H2,17,18)
InChIKeyQQFYWXIWZQGDGD-UHFFFAOYSA-N
XLogP2.76
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 43661787
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-bromo-1-(4-bromo-3-methoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 82859589
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
1-(3,5-dimethoxyphenyl)-6-fluorobenzimidazol-2-amine
CID 62376839
1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
CID 114840209
1-(4-chloro-3-methoxyphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 107622367
6-bromo-1-(4-chloro-3-methoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 107622297
1-(4-chloro-3-methoxyphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 107622311
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine (CID 43661963) is 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine is COc1ccc(-n2c(N)nc3cc(F)ccc32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is QQFYWXIWZQGDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-20-13-6-4-10(8-14(13)21-2)19-12-5-3-9(16)7-11(12)18-15(19)17/h3-8H,1-2H3,(H2,17,18).
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine?
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 287.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 43661963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).