1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

C21H27N5O2 — CID 111682608

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C21H27N5O2/c1-16(28-19-9-5-4-8-18(19)27-3)14-24-21(22-2)23-12-11-17-15-26-13-7-6-10-20(26)25-17/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,22,23,24)
InChIKeyKCBPPMBCGGJEOY-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.52
Rot. Bonds8

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (PubChem CID 111682608) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
PubChem CID111682608
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C21H27N5O2/c1-16(28-19-9-5-4-8-18(19)27-3)14-24-21(22-2)23-12-11-17-15-26-13-7-6-10-20(26)25-17/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,22,23,24)
InChIKeyKCBPPMBCGGJEOY-UHFFFAOYSA-N
XLogP2.52
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine 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

1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111680376
1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111681281
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 111683205
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111683428
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine;hydroiodide
CID 110914604
1-[2-(diethylamino)-2-phenylethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111011074
1-benzyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 110954059
1-[2-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119148965
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949451

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine (CID 111682608) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is C/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
The InChIKey is KCBPPMBCGGJEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(28-19-9-5-4-8-18(19)27-3)14-24-21(22-2)23-12-11-17-15-26-13-7-6-10-20(26)25-17/h4-10,13,15-16H,11-12,14H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine has a molecular weight of 381.48 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine is sourced from PubChem (CID 111682608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).