1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine

C18H27N5 — CID 109496304

IUPAC1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCc1cn2cccc(C)c2n1
InChIInChI=1S/C18H27N5/c1-5-6-7-12-22(4)18(19-3)20-11-10-16-14-23-13-8-9-15(2)17(23)21-16/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3,(H,19,20)
InChIKeyVWJILTMIJNAXOB-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.66
Rot. Bonds7

About 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine

1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine (PubChem CID 109496304) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine
PubChem CID109496304
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCCc1cn2cccc(C)c2n1
InChIInChI=1S/C18H27N5/c1-5-6-7-12-22(4)18(19-3)20-11-10-16-14-23-13-8-9-15(2)17(23)21-16/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3,(H,19,20)
InChIKeyVWJILTMIJNAXOB-UHFFFAOYSA-N
XLogP2.66
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine;hydroiodide
CID 109496303
1,2-dimethyl-1-pent-4-enyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 109497572
2-methyl-1-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111834882
1,2-dimethyl-1-pent-4-enyl-3-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109498464
1,2-dimethyl-1-pent-4-enyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 109497726
3-[2-(5-bromofuran-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109496888
1,2-dimethyl-1-pent-4-enyl-3-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 109496802
3-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497082
1,2-dimethyl-3-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-pent-4-enylguanidine
CID 109497663
3-[2-[4-(dimethylamino)phenyl]ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498453
3-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109497793
3-[2-(1H-indol-2-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109496349

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine (CID 109496304) is 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCCc1cn2cccc(C)c2n1.
What is the InChIKey of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine?
The InChIKey is VWJILTMIJNAXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-5-6-7-12-22(4)18(19-3)20-11-10-16-14-23-13-8-9-15(2)17(23)21-16/h5,8-9,13-14H,1,6-7,10-12H2,2-4H3,(H,19,20).
What are the key properties of 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine?
1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine has a molecular weight of 313.45 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109496304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).