3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine

C15H17N3S — CID 82144722

IUPAC3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
SMILESNCCCn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C15H17N3S/c16-8-4-9-18-14-7-2-1-6-13(14)17-15(18)11-12-5-3-10-19-12/h1-3,5-7,10H,4,8-9,11,16H2
InChIKeyFYBKKKAXRWOEDC-UHFFFAOYSA-N
MW271.39 g/mol
LogP3.04
Rot. Bonds5

About 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine

3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 82144722) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
PubChem CID82144722
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
SMILESNCCCn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C15H17N3S/c16-8-4-9-18-14-7-2-1-6-13(14)17-15(18)11-12-5-3-10-19-12/h1-3,5-7,10H,4,8-9,11,16H2
InChIKeyFYBKKKAXRWOEDC-UHFFFAOYSA-N
XLogP3.04
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
1-(3-phenylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole
CID 19243007
3-[6-(thiophen-2-ylmethyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748726
1-[3-(4-propan-2-ylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242984
1-[3-(3,4-dimethylphenoxy)propyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242980
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
1-[(2-chlorophenyl)methyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242893
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
CID 19243714
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
1-[2-(2,5-dimethylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242940
N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930

Frequently Asked Questions

What is the IUPAC name of 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine (CID 82144722) is 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine is NCCCn1c(Cc2cccs2)nc2ccccc21.
What is the InChIKey of 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is FYBKKKAXRWOEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c16-8-4-9-18-14-7-2-1-6-13(14)17-15(18)11-12-5-3-10-19-12/h1-3,5-7,10H,4,8-9,11,16H2.
What are the key properties of 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 271.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82144722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).