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

C14H14FN3S — CID 103592746

IUPAC5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C(C)c1cccs1
InChIInChI=1S/C14H14FN3S/c1-8-6-12-11(7-10(8)15)17-14(16)18(12)9(2)13-4-3-5-19-13/h3-7,9H,1-2H3,(H2,16,17)
InChIKeyMIUHDCXONZTJOO-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.74
Rot. Bonds2

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

5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine (PubChem CID 103592746) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
PubChem CID103592746
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2C(C)c1cccs1
InChIInChI=1S/C14H14FN3S/c1-8-6-12-11(7-10(8)15)17-14(16)18(12)9(2)13-4-3-5-19-13/h3-7,9H,1-2H3,(H2,16,17)
InChIKeyMIUHDCXONZTJOO-UHFFFAOYSA-N
XLogP3.74
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 43662122
5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 103592825
6-bromo-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 65347412
1-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502017
5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66076960
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
3-(1-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 79290150
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 116738376
2-(1-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 62375834
6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
CID 116738194
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine (CID 103592746) is 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2C(C)c1cccs1.
What is the InChIKey of 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
The InChIKey is MIUHDCXONZTJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-8-6-12-11(7-10(8)15)17-14(16)18(12)9(2)13-4-3-5-19-13/h3-7,9H,1-2H3,(H2,16,17).
What are the key properties of 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine?
5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 103592746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).