5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide

C14H12N4S — CID 146170563

IUPAC5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)c(-c2cnc[nH]2)s1
InChIInChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)
InChIKeyFXABOLLAJZFHEL-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.09
Rot. Bonds3

About 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide

5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide (PubChem CID 146170563) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide
PubChem CID146170563
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2)c(-c2cnc[nH]2)s1
InChIInChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)
InChIKeyFXABOLLAJZFHEL-UHFFFAOYSA-N
XLogP3.09
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Phenylimidazole
CID 69590
2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
4-(2-Thienyl)-1-(4-Methylbenzyl)-1h-Imidazole
CID 446185
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
4-(1,3-dimethyl-6,7-dihydrobenzo[c]thiophene-4-yl)-1H-imidazole
CID 10220232
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
5-[(3,4-dimethylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 19961031
4,5-diphenyl-2-(2-thienyl)-1H-imidazole
CID 767504

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide?
The IUPAC name of 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide (CID 146170563) is 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide?
The canonical SMILES for 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2)c(-c2cnc[nH]2)s1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide?
The InChIKey is FXABOLLAJZFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18).
What are the key properties of 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide?
5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide has a molecular weight of 268.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-4-phenylthiophene-2-carboximidamide is sourced from PubChem (CID 146170563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).