1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine

C10H13N3S — CID 43649951

IUPAC1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
SMILESCCC(N)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C10H13N3S/c1-2-7(11)10-12-6-8(13-10)9-4-3-5-14-9/h3-7H,2,11H2,1H3,(H,12,13)
InChIKeyVQAHBBKSSARTNC-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.55
Rot. Bonds3

About 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine

1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine (PubChem CID 43649951) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
PubChem CID43649951
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine
SMILESCCC(N)c1ncc(-c2cccs2)[nH]1
InChIInChI=1S/C10H13N3S/c1-2-7(11)10-12-6-8(13-10)9-4-3-5-14-9/h3-7H,2,11H2,1H3,(H,12,13)
InChIKeyVQAHBBKSSARTNC-UHFFFAOYSA-N
XLogP2.55
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine (CID 43649951) is 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine is CCC(N)c1ncc(-c2cccs2)[nH]1.
What is the InChIKey of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine?
The InChIKey is VQAHBBKSSARTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-7(11)10-12-6-8(13-10)9-4-3-5-14-9/h3-7H,2,11H2,1H3,(H,12,13).
What are the key properties of 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine?
1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine has a molecular weight of 207.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-thiophen-2-yl-1H-imidazol-2-yl)propan-1-amine is sourced from PubChem (CID 43649951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).