N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

C12H17N3S — CID 66150573

IUPACN-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1ccsc1
InChIInChI=1S/C12H17N3S/c1-10(2)14-6-12-5-13-9-15(12)7-11-3-4-16-8-11/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyXQFFVJZMSFTRFB-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.49
Rot. Bonds5

About N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150573) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150573
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC NameN-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1Cc1ccsc1
InChIInChI=1S/C12H17N3S/c1-10(2)14-6-12-5-13-9-15(12)7-11-3-4-16-8-11/h3-5,8-10,14H,6-7H2,1-2H3
InChIKeyXQFFVJZMSFTRFB-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (CID 66150573) is N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1Cc1ccsc1.
What is the InChIKey of N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is XQFFVJZMSFTRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-10(2)14-6-12-5-13-9-15(12)7-11-3-4-16-8-11/h3-5,8-10,14H,6-7H2,1-2H3.
What are the key properties of N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 235.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).