1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole

C14H16N4S — CID 70775838

IUPAC1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole
SMILESCCCn1ccnc1Cn1ccnc1-c1ccsc1
InChIInChI=1S/C14H16N4S/c1-2-6-17-7-4-15-13(17)10-18-8-5-16-14(18)12-3-9-19-11-12/h3-5,7-9,11H,2,6,10H2,1H3
InChIKeyFCTDTCGRXYYZNH-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.27
Rot. Bonds5

About 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole

1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole (PubChem CID 70775838) has the molecular formula C14H16N4S and a molecular weight of 272.38 g/mol. Its IUPAC name is 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole.

Molecular Properties

Compound Name1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole
PubChem CID70775838
Molecular FormulaC14H16N4S
Molecular Weight272.38 g/mol
Exact Mass272.11
IUPAC Name1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole
SMILESCCCn1ccnc1Cn1ccnc1-c1ccsc1
InChIInChI=1S/C14H16N4S/c1-2-6-17-7-4-15-13(17)10-18-8-5-16-14(18)12-3-9-19-11-12/h3-5,7-9,11H,2,6,10H2,1H3
InChIKeyFCTDTCGRXYYZNH-UHFFFAOYSA-N
XLogP3.27
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
N-[[4-(1-propylimidazol-2-yl)phenyl]methyl]propan-2-amine
CID 63975815
4-(1-propylimidazol-2-yl)benzaldehyde
CID 63975190
1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
CID 55154883
N-[1-[4-(1-propylimidazol-2-yl)phenyl]ethyl]propan-1-amine
CID 63975816
ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
tris(2-methyl-1-propylimidazole);trihydroiodide
CID 173173325
2-chloro-1-propylimidazole
CID 142765750
2-methyl-3-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 56701973
1-ethyl-2-[(2-methylimidazol-1-yl)methyl]imidazole
CID 62406588
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanamine
CID 105012449
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749

Frequently Asked Questions

What is the IUPAC name of 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole?
The IUPAC name of 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole (CID 70775838) is 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole.
What is the SMILES notation for 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole?
The canonical SMILES for 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole is CCCn1ccnc1Cn1ccnc1-c1ccsc1.
What is the InChIKey of 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole?
The InChIKey is FCTDTCGRXYYZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4S/c1-2-6-17-7-4-15-13(17)10-18-8-5-16-14(18)12-3-9-19-11-12/h3-5,7-9,11H,2,6,10H2,1H3.
What are the key properties of 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole?
1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole has a molecular weight of 272.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-2-[(2-thiophen-3-ylimidazol-1-yl)methyl]imidazole is sourced from PubChem (CID 70775838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).