6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine

C12H14FN3S — CID 103295044

IUPAC6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCC3CCCS3)[nH]c2c1
InChIInChI=1S/C12H14FN3S/c13-8-3-4-10-11(6-8)16-12(15-10)14-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H2,14,15,16)
InChIKeyXRSJSIHPWQYTRV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.01
Rot. Bonds3

About 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine

6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine (PubChem CID 103295044) has the molecular formula C12H14FN3S and a molecular weight of 251.33 g/mol. Its IUPAC name is 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
PubChem CID103295044
Molecular FormulaC12H14FN3S
Molecular Weight251.33 g/mol
Exact Mass251.09
IUPAC Name6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
SMILESFc1ccc2nc(NCC3CCCS3)[nH]c2c1
InChIInChI=1S/C12H14FN3S/c13-8-3-4-10-11(6-8)16-12(15-10)14-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H2,14,15,16)
InChIKeyXRSJSIHPWQYTRV-UHFFFAOYSA-N
XLogP3.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-nitro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 80586477
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294689
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294732
5-fluoro-N-(thian-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 80613001
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-1H-benzimidazol-2-amine
CID 103294770
1-cyclohexyl-N-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295345

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine (CID 103295044) is 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine is Fc1ccc2nc(NCC3CCCS3)[nH]c2c1.
What is the InChIKey of 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine?
The InChIKey is XRSJSIHPWQYTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3S/c13-8-3-4-10-11(6-8)16-12(15-10)14-7-9-2-1-5-17-9/h3-4,6,9H,1-2,5,7H2,(H2,14,15,16).
What are the key properties of 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine?
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine has a molecular weight of 251.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 103295044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).