N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide

C20H24N4S — CID 10089383

IUPACN'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide
SMILESCCCCCCc1ncc(-c2cccc(/N=C(\N)c3cccs3)c2)[nH]1
InChIInChI=1S/C20H24N4S/c1-2-3-4-5-11-19-22-14-17(24-19)15-8-6-9-16(13-15)23-20(21)18-10-7-12-25-18/h6-10,12-14H,2-5,11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyBJHPGKVSMXTJMH-UHFFFAOYSA-N
MW352.51 g/mol
LogP5.30
Rot. Bonds8

About N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide

N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide (PubChem CID 10089383) has the molecular formula C20H24N4S and a molecular weight of 352.51 g/mol. Its IUPAC name is N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide
PubChem CID10089383
Molecular FormulaC20H24N4S
Molecular Weight352.51 g/mol
Exact Mass352.17
IUPAC NameN'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide
SMILESCCCCCCc1ncc(-c2cccc(/N=C(\N)c3cccs3)c2)[nH]1
InChIInChI=1S/C20H24N4S/c1-2-3-4-5-11-19-22-14-17(24-19)15-8-6-9-16(13-15)23-20(21)18-10-7-12-25-18/h6-10,12-14H,2-5,11H2,1H3,(H2,21,23)(H,22,24)
InChIKeyBJHPGKVSMXTJMH-UHFFFAOYSA-N
XLogP5.30
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.51
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[2-(1-aminoethyl)-1H-imidazol-5-yl]phenyl]thiophene-2-carboximidamide
CID 18443029
3-(2-butyl-1H-imidazol-5-yl)aniline
CID 173009112
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
N'-[4-[[amino(thiophen-2-yl)methylidene]amino]phenyl]thiophene-2-carboximidamide
CID 54405425
4-(2-heptyl-1H-imidazol-5-yl)-2-methanimidoylaniline
CID 130373765
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
2-heptyl-5-[4-[(1Z,3Z)-penta-1,3-dienyl]phenyl]-1H-imidazole
CID 130373680
2-benzyl-5-(3-butylphenyl)-1H-imidazole
CID 91210581
(1S)-1-[5-(3-bromophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214458
N'-(3-propan-2-yl-1H-indol-5-yl)thiophene-2-carboximidamide
CID 89354304
N'-(1-heptan-4-ylindol-5-yl)thiophene-2-carboximidamide
CID 89329400
2-(2-dodecyl-1H-imidazol-5-yl)ethanamine
CID 10731390

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide?
The IUPAC name of N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide (CID 10089383) is N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide.
What is the SMILES notation for N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide?
The canonical SMILES for N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide is CCCCCCc1ncc(-c2cccc(/N=C(\N)c3cccs3)c2)[nH]1.
What is the InChIKey of N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide?
The InChIKey is BJHPGKVSMXTJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4S/c1-2-3-4-5-11-19-22-14-17(24-19)15-8-6-9-16(13-15)23-20(21)18-10-7-12-25-18/h6-10,12-14H,2-5,11H2,1H3,(H2,21,23)(H,22,24).
What are the key properties of N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide?
N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide has a molecular weight of 352.51 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-hexyl-1H-imidazol-5-yl)phenyl]thiophene-2-carboximidamide is sourced from PubChem (CID 10089383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).