5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine

C14H14FN3OS — CID 63599810

IUPAC5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2CCc1cccs1
InChIInChI=1S/C14H14FN3OS/c1-19-13-8-12-11(7-10(13)15)17-14(16)18(12)5-4-9-3-2-6-20-9/h2-3,6-8H,4-5H2,1H3,(H2,16,17)
InChIKeyJRXUCSGCZCKMIC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.07
Rot. Bonds4

About 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine

5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine (PubChem CID 63599810) has the molecular formula C14H14FN3OS and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
PubChem CID63599810
Molecular FormulaC14H14FN3OS
Molecular Weight291.35 g/mol
Exact Mass291.08
IUPAC Name5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2CCc1cccs1
InChIInChI=1S/C14H14FN3OS/c1-19-13-8-12-11(7-10(13)15)17-14(16)18(12)5-4-9-3-2-6-20-9/h2-3,6-8H,4-5H2,1H3,(H2,16,17)
InChIKeyJRXUCSGCZCKMIC-UHFFFAOYSA-N
XLogP3.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazole
CID 63598420
5-fluoro-6-methoxy-1-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106406219
1-(2-butoxyethyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63597555
5-fluoro-6-methoxy-1-(1,2,4-oxadiazol-3-ylmethyl)benzimidazol-2-amine
CID 106406137
2-[2-(2-amino-5-fluoro-6-methoxybenzimidazol-1-yl)ethoxy]acetamide
CID 106240092
5-fluoro-6-methoxy-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine
CID 63825511
5-fluoro-6-methoxy-1-(oxolan-3-ylmethyl)benzimidazol-2-amine
CID 63597894
7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline
CID 166222667
6-bromo-3-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79306336
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-thiophen-2-ylethyl)benzimidazole
CID 66100016
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
6-bromo-5-fluoro-1-[(2-methoxyphenyl)methyl]benzimidazol-2-amine
CID 116738009

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine (CID 63599810) is 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2CCc1cccs1.
What is the InChIKey of 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine?
The InChIKey is JRXUCSGCZCKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3OS/c1-19-13-8-12-11(7-10(13)15)17-14(16)18(12)5-4-9-3-2-6-20-9/h2-3,6-8H,4-5H2,1H3,(H2,16,17).
What are the key properties of 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine?
5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine has a molecular weight of 291.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methoxy-1-(2-thiophen-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 63599810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).