4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine

C14H14FN3S — CID 63292479

IUPAC4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(Cc1cccs1)n1c(N)nc2c(F)cccc21
InChIInChI=1S/C14H14FN3S/c1-9(8-10-4-3-7-19-10)18-12-6-2-5-11(15)13(12)17-14(18)16/h2-7,9H,8H2,1H3,(H2,16,17)
InChIKeyAKDANOIOZOEDHP-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.62
Rot. Bonds3

About 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine

4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine (PubChem CID 63292479) has the molecular formula C14H14FN3S and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
PubChem CID63292479
Molecular FormulaC14H14FN3S
Molecular Weight275.35 g/mol
Exact Mass275.09
IUPAC Name4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
SMILESCC(Cc1cccs1)n1c(N)nc2c(F)cccc21
InChIInChI=1S/C14H14FN3S/c1-9(8-10-4-3-7-19-10)18-12-6-2-5-11(15)13(12)17-14(18)16/h2-7,9H,8H2,1H3,(H2,16,17)
InChIKeyAKDANOIOZOEDHP-UHFFFAOYSA-N
XLogP3.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-1-octan-2-ylbenzimidazol-2-amine
CID 61480445
1-methyl-3-propyl-6-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-d]pyrazol-5-amine
CID 79282138
4-chloro-2-(2-chloroethyl)-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 104838120
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
2-(2-amino-4-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 54950785
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
2-(2-chloroethyl)-4-fluoro-1-(1-thiophen-2-ylethyl)benzimidazole
CID 60790001
2-(chloromethyl)-4-fluoro-1-(1-thiophen-3-ylpropan-2-yl)benzimidazole
CID 61477649
4-[(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784948
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
2-(2-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 63292395
7-chloro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 104836476

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine (CID 63292479) is 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine is CC(Cc1cccs1)n1c(N)nc2c(F)cccc21.
What is the InChIKey of 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine?
The InChIKey is AKDANOIOZOEDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3S/c1-9(8-10-4-3-7-19-10)18-12-6-2-5-11(15)13(12)17-14(18)16/h2-7,9H,8H2,1H3,(H2,16,17).
What are the key properties of 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine?
4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine has a molecular weight of 275.35 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 63292479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).