N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine

C11H15N3S — CID 106561408

IUPACN-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
SMILESCCCNc1nccn1Cc1cccs1
InChIInChI=1S/C11H15N3S/c1-2-5-12-11-13-6-7-14(11)9-10-4-3-8-15-10/h3-4,6-8H,2,5,9H2,1H3,(H,12,13)
InChIKeyNCCVTIDPNKTBGG-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.81
Rot. Bonds5

About N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine

N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine (PubChem CID 106561408) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
PubChem CID106561408
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC NameN-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine
SMILESCCCNc1nccn1Cc1cccs1
InChIInChI=1S/C11H15N3S/c1-2-5-12-11-13-6-7-14(11)9-10-4-3-8-15-10/h3-4,6-8H,2,5,9H2,1H3,(H,12,13)
InChIKeyNCCVTIDPNKTBGG-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine?
The IUPAC name of N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine (CID 106561408) is N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine is CCCNc1nccn1Cc1cccs1.
What is the InChIKey of N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine?
The InChIKey is NCCVTIDPNKTBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-2-5-12-11-13-6-7-14(11)9-10-4-3-8-15-10/h3-4,6-8H,2,5,9H2,1H3,(H,12,13).
What are the key properties of N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine?
N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiophen-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106561408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).