5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine

C13H18FN3O2 — CID 103592868

IUPAC5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
SMILESCOCCOCCn1c(N)nc2cc(F)c(C)cc21
InChIInChI=1S/C13H18FN3O2/c1-9-7-12-11(8-10(9)14)16-13(15)17(12)3-4-19-6-5-18-2/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyHBDRDIDZAPAFBM-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.73
Rot. Bonds6

About 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine

5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine (PubChem CID 103592868) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
PubChem CID103592868
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine
SMILESCOCCOCCn1c(N)nc2cc(F)c(C)cc21
InChIInChI=1S/C13H18FN3O2/c1-9-7-12-11(8-10(9)14)16-13(15)17(12)3-4-19-6-5-18-2/h7-8H,3-6H2,1-2H3,(H2,15,16)
InChIKeyHBDRDIDZAPAFBM-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-5-iodo-1-[2-(2-methoxyethoxy)ethyl]benzimidazol-2-amine
CID 66101386
1-(3-butoxypropyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593135
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240092
1-(2-ethylsulfinylethyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593147
5-fluoro-6-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 103592941
5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126
3-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 103593026

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine (CID 103592868) is 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine is COCCOCCn1c(N)nc2cc(F)c(C)cc21.
What is the InChIKey of 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine?
The InChIKey is HBDRDIDZAPAFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9-7-12-11(8-10(9)14)16-13(15)17(12)3-4-19-6-5-18-2/h7-8H,3-6H2,1-2H3,(H2,15,16).
What are the key properties of 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine?
5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine has a molecular weight of 267.30 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-(2-methoxyethoxy)ethyl]-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).