2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine

C19H24N6S — CID 14660411

IUPAC2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccn1)c1cccs1
InChIInChI=1S/C19H24N6S/c20-19(23-10-3-5-15-13-21-14-25-15)24-11-8-16(18-7-4-12-26-18)17-6-1-2-9-22-17/h1-2,4,6-7,9,12-14,16H,3,5,8,10-11H2,(H,21,25)(H3,20,23,24)
InChIKeyIBNXHHGKQLJEJQ-UHFFFAOYSA-N
MW368.51 g/mol
LogP2.93
Rot. Bonds9

About 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine

2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine (PubChem CID 14660411) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
PubChem CID14660411
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
SMILESN/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccn1)c1cccs1
InChIInChI=1S/C19H24N6S/c20-19(23-10-3-5-15-13-21-14-25-15)24-11-8-16(18-7-4-12-26-18)17-6-1-2-9-22-17/h1-2,4,6-7,9,12-14,16H,3,5,8,10-11H2,(H,21,25)(H3,20,23,24)
InChIKeyIBNXHHGKQLJEJQ-UHFFFAOYSA-N
XLogP2.93
TPSA91.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
4-Benzo[b]thiophen-4-yl-1H-imidazole
CID 10176567
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
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808829
N-cyclohexyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808862

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine?
The IUPAC name of 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine (CID 14660411) is 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine.
What is the SMILES notation for 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine?
The canonical SMILES for 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine is N/C(=N\CCCc1cnc[nH]1)NCCC(c1ccccn1)c1cccs1.
What is the InChIKey of 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine?
The InChIKey is IBNXHHGKQLJEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6S/c20-19(23-10-3-5-15-13-21-14-25-15)24-11-8-16(18-7-4-12-26-18)17-6-1-2-9-22-17/h1-2,4,6-7,9,12-14,16H,3,5,8,10-11H2,(H,21,25)(H3,20,23,24).
What are the key properties of 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine?
2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine has a molecular weight of 368.51 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine is sourced from PubChem (CID 14660411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).