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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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).