1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide

C15H21ClIN5 — CID 119151426

IUPAC1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Cl)ccc2n1)NCC1CCC1.I
InChIInChI=1S/C15H20ClN5.HI/c1-17-15(18-7-11-3-2-4-11)19-8-13-10-21-9-12(16)5-6-14(21)20-13;/h5-6,9-11H,2-4,7-8H2,1H3,(H2,17,18,19);1H
InChIKeyACFWTVYFHRWQRN-UHFFFAOYSA-N
MW433.73 g/mol
LogP3.07
Rot. Bonds4

About 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 119151426) has the molecular formula C15H21ClIN5 and a molecular weight of 433.73 g/mol. Its IUPAC name is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide
PubChem CID119151426
Molecular FormulaC15H21ClIN5
Molecular Weight433.73 g/mol
Exact Mass433.05
IUPAC Name1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Cl)ccc2n1)NCC1CCC1.I
InChIInChI=1S/C15H20ClN5.HI/c1-17-15(18-7-11-3-2-4-11)19-8-13-10-21-9-12(16)5-6-14(21)20-13;/h5-6,9-11H,2-4,7-8H2,1H3,(H2,17,18,19);1H
InChIKeyACFWTVYFHRWQRN-UHFFFAOYSA-N
XLogP3.07
TPSA53.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.73
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 119163152
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]cyclohexanamine
CID 78912632
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2,6-dimethylpiperidin-1-amine
CID 83021224
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 78912858
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylethyl)urea
CID 47221365
1-(cyclobutylmethyl)-2-methyl-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 119140248
(1R)-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-cyclopentylethanamine
CID 115345173
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopropylpropan-1-amine
CID 115639536

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide (CID 119151426) is 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide is C/N=C(/NCc1cn2cc(Cl)ccc2n1)NCC1CCC1.I.
What is the InChIKey of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is ACFWTVYFHRWQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5.HI/c1-17-15(18-7-11-3-2-4-11)19-8-13-10-21-9-12(16)5-6-14(21)20-13;/h5-6,9-11H,2-4,7-8H2,1H3,(H2,17,18,19);1H.
What are the key properties of 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide?
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 433.73 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-(cyclobutylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119151426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).