1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine

C20H24ClN5O — CID 111680376

IUPAC1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O/c1-15(27-18-8-6-16(21)7-9-18)13-24-20(22-2)23-11-10-17-14-26-12-4-3-5-19(26)25-17/h3-9,12,14-15H,10-11,13H2,1-2H3,(H2,22,23,24)
InChIKeyWJHZCNTUSPGBNR-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.16
Rot. Bonds7

About 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine

1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine (PubChem CID 111680376) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
PubChem CID111680376
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
SMILESC/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1ccc(Cl)cc1
InChIInChI=1S/C20H24ClN5O/c1-15(27-18-8-6-16(21)7-9-18)13-24-20(22-2)23-11-10-17-14-26-12-4-3-5-19(26)25-17/h3-9,12,14-15H,10-11,13H2,1-2H3,(H2,22,23,24)
InChIKeyWJHZCNTUSPGBNR-UHFFFAOYSA-N
XLogP3.16
TPSA62.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine
CID 111682608
1-[2-(3-fluorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 111681281
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)-3-(2-methoxyethyl)-2-methylguanidine;hydroiodide
CID 110941621
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dimethylguanidine
CID 99845838
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-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-prop-2-ynylguanidine;hydroiodide
CID 119148965
1-[2-(3-fluorophenoxy)butyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine;hydroiodide
CID 109475248
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110949451
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111930422

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
The IUPAC name of 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine (CID 111680376) is 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine is C/N=C(/NCCc1cn2ccccc2n1)NCC(C)Oc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
The InChIKey is WJHZCNTUSPGBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-15(27-18-8-6-16(21)7-9-18)13-24-20(22-2)23-11-10-17-14-26-12-4-3-5-19(26)25-17/h3-9,12,14-15H,10-11,13H2,1-2H3,(H2,22,23,24).
What are the key properties of 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine?
1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine has a molecular weight of 385.90 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine is sourced from PubChem (CID 111680376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).