1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

C14H10Cl2FN3O — CID 63598050

IUPAC1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2FN3O/c1-21-13-6-12-10(5-9(13)17)19-14(18)20(12)11-4-7(15)2-3-8(11)16/h2-6H,1H3,(H2,18,19)
InChIKeyKMXJAMPAFJPHJU-UHFFFAOYSA-N
MW326.16 g/mol
LogP4.06
Rot. Bonds2

About 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine

1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (PubChem CID 63598050) has the molecular formula C14H10Cl2FN3O and a molecular weight of 326.16 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
PubChem CID63598050
Molecular FormulaC14H10Cl2FN3O
Molecular Weight326.16 g/mol
Exact Mass325.02
IUPAC Name1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl2FN3O/c1-21-13-6-12-10(5-9(13)17)19-14(18)20(12)11-4-7(15)2-3-8(11)16/h2-6H,1H3,(H2,18,19)
InChIKeyKMXJAMPAFJPHJU-UHFFFAOYSA-N
XLogP4.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.16
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine (CID 63598050) is 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2-c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
The InChIKey is KMXJAMPAFJPHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3O/c1-21-13-6-12-10(5-9(13)17)19-14(18)20(12)11-4-7(15)2-3-8(11)16/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine?
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine has a molecular weight of 326.16 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 63598050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).