1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

C15H17N3S — CID 6621436

IUPAC1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCCCn1cnc2cc(NCc3cccs3)ccc21
InChIInChI=1S/C15H17N3S/c1-2-7-18-11-17-14-9-12(5-6-15(14)18)16-10-13-4-3-8-19-13/h3-6,8-9,11,16H,2,7,10H2,1H3
InChIKeyGEEPRJQOBSXLMW-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.12
Rot. Bonds5

About 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (PubChem CID 6621436) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
PubChem CID6621436
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC Name1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCCCn1cnc2cc(NCc3cccs3)ccc21
InChIInChI=1S/C15H17N3S/c1-2-7-18-11-17-14-9-12(5-6-15(14)18)16-10-13-4-3-8-19-13/h3-6,8-9,11,16H,2,7,10H2,1H3
InChIKeyGEEPRJQOBSXLMW-UHFFFAOYSA-N
XLogP4.12
TPSA29.85 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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (CID 6621436) is 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is CCCn1cnc2cc(NCc3cccs3)ccc21.
What is the InChIKey of 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is GEEPRJQOBSXLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-2-7-18-11-17-14-9-12(5-6-15(14)18)16-10-13-4-3-8-19-13/h3-6,8-9,11,16H,2,7,10H2,1H3.
What are the key properties of 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 271.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 6621436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).