3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine

C14H13F2N3S — CID 82146177

IUPAC3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1c(-c2cccs2)nc2cc(F)c(F)cc21
InChIInChI=1S/C14H13F2N3S/c15-9-7-11-12(8-10(9)16)19(5-2-4-17)14(18-11)13-3-1-6-20-13/h1,3,6-8H,2,4-5,17H2
InChIKeyDUYJJTADVAFFJN-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.39
Rot. Bonds4

About 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine

3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine (PubChem CID 82146177) has the molecular formula C14H13F2N3S and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine
PubChem CID82146177
Molecular FormulaC14H13F2N3S
Molecular Weight293.34 g/mol
Exact Mass293.08
IUPAC Name3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1c(-c2cccs2)nc2cc(F)c(F)cc21
InChIInChI=1S/C14H13F2N3S/c15-9-7-11-12(8-10(9)16)19(5-2-4-17)14(18-11)13-3-1-6-20-13/h1,3,6-8H,2,4-5,17H2
InChIKeyDUYJJTADVAFFJN-UHFFFAOYSA-N
XLogP3.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
3-(5,6-dimethyl-2-thiophen-2-ylbenzimidazol-1-yl)propanethioamide
CID 94756528
3-[6-(thiophen-2-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748726
5,6-difluoro-1-piperidin-4-yl-2-thiophen-2-ylbenzimidazole
CID 94749411
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237
2-(5-chloro-2-thiophen-2-ylbenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309439
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
4-[5,6-difluoro-2-(2-fluorophenyl)benzimidazol-1-yl]butanenitrile
CID 94757427

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine (CID 82146177) is 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine is NCCCn1c(-c2cccs2)nc2cc(F)c(F)cc21.
What is the InChIKey of 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is DUYJJTADVAFFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3S/c15-9-7-11-12(8-10(9)16)19(5-2-4-17)14(18-11)13-3-1-6-20-13/h1,3,6-8H,2,4-5,17H2.
What are the key properties of 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 293.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82146177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).