2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole

C19H32N2S — CID 91357795

IUPAC2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole
SMILESCCCCCCCCCCCCC(C)c1nc2cscc2[nH]1
InChIInChI=1S/C19H32N2S/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)19-20-17-14-22-15-18(17)21-19/h14-16H,3-13H2,1-2H3,(H,20,21)
InChIKeyGUDWFPZDHOKKLU-UHFFFAOYSA-N
MW320.55 g/mol
LogP7.04
Rot. Bonds12

About 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole

2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole (PubChem CID 91357795) has the molecular formula C19H32N2S and a molecular weight of 320.55 g/mol. Its IUPAC name is 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole.

Molecular Properties

Compound Name2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole
PubChem CID91357795
Molecular FormulaC19H32N2S
Molecular Weight320.55 g/mol
Exact Mass320.23
IUPAC Name2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole
SMILESCCCCCCCCCCCCC(C)c1nc2cscc2[nH]1
InChIInChI=1S/C19H32N2S/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)19-20-17-14-22-15-18(17)21-19/h14-16H,3-13H2,1-2H3,(H,20,21)
InChIKeyGUDWFPZDHOKKLU-UHFFFAOYSA-N
XLogP7.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-undecyl-1H-thieno[3,4-d]imidazole
CID 21199937
2-heptadecyl-1H-thieno[3,4-d]imidazole
CID 21200021
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
2-octan-2-yl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazole
CID 135164457
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
5,6-dichloro-2-hexan-2-yl-1H-imidazo[4,5-b]pyridine
CID 114246579
2,3-didecoxythieno[3,4-b]pyrazine
CID 21200017
2-heptan-2-yl-6-naphthalen-1-yl-1H-imidazo[4,5-b]pyridine
CID 142247031
3-hexadecan-2-yl-4H-1,2,4-oxadiazol-5-one
CID 138558356
3,4-bis[(2S)-2-methyloctyl]thiophene;3,4-bis[(2R)-2-methyloctyl]thiophene
CID 158088922
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225

Frequently Asked Questions

What is the IUPAC name of 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole?
The IUPAC name of 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole (CID 91357795) is 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole.
What is the SMILES notation for 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole?
The canonical SMILES for 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole is CCCCCCCCCCCCC(C)c1nc2cscc2[nH]1.
What is the InChIKey of 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole?
The InChIKey is GUDWFPZDHOKKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2S/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)19-20-17-14-22-15-18(17)21-19/h14-16H,3-13H2,1-2H3,(H,20,21).
What are the key properties of 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole?
2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole has a molecular weight of 320.55 g/mol, XLogP of 7.04, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecan-2-yl-1H-thieno[3,4-d]imidazole is sourced from PubChem (CID 91357795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).