4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine

C16H19N3S — CID 82144723

IUPAC4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
SMILESNCCCCn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C16H19N3S/c17-9-3-4-10-19-15-8-2-1-7-14(15)18-16(19)12-13-6-5-11-20-13/h1-2,5-8,11H,3-4,9-10,12,17H2
InChIKeyGXKVZPOMEAFLKV-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.43
Rot. Bonds6

About 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine

4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine (PubChem CID 82144723) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
PubChem CID82144723
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
SMILESNCCCCn1c(Cc2cccs2)nc2ccccc21
InChIInChI=1S/C16H19N3S/c17-9-3-4-10-19-15-8-2-1-7-14(15)18-16(19)12-13-6-5-11-20-13/h1-2,5-8,11H,3-4,9-10,12,17H2
InChIKeyGXKVZPOMEAFLKV-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
CID 82144722
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
1-(4-chlorophenyl)-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanone
CID 19243714
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
3-[6-chloro-2-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-amine
CID 93209804
N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930
1-[2-(4-tert-butylphenoxy)ethyl]-2-(thiophen-2-ylmethyl)benzimidazole
CID 19242958
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770

Frequently Asked Questions

What is the IUPAC name of 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine (CID 82144723) is 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine is NCCCCn1c(Cc2cccs2)nc2ccccc21.
What is the InChIKey of 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine?
The InChIKey is GXKVZPOMEAFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c17-9-3-4-10-19-15-8-2-1-7-14(15)18-16(19)12-13-6-5-11-20-13/h1-2,5-8,11H,3-4,9-10,12,17H2.
What are the key properties of 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine?
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine is sourced from PubChem (CID 82144723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).