1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine

C13H19N5 — CID 110919308

IUPAC1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine
SMILESCCC(C)N/C(N)=N/Cc1cn2ccccc2n1
InChIInChI=1S/C13H19N5/c1-3-10(2)16-13(14)15-8-11-9-18-7-5-4-6-12(18)17-11/h4-7,9-10H,3,8H2,1-2H3,(H3,14,15,16)
InChIKeyPGGNLRJPWLGUBZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.54
Rot. Bonds4

About 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine

1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine (PubChem CID 110919308) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine
PubChem CID110919308
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine
SMILESCCC(C)N/C(N)=N/Cc1cn2ccccc2n1
InChIInChI=1S/C13H19N5/c1-3-10(2)16-13(14)15-8-11-9-18-7-5-4-6-12(18)17-11/h4-7,9-10H,3,8H2,1-2H3,(H3,14,15,16)
InChIKeyPGGNLRJPWLGUBZ-UHFFFAOYSA-N
XLogP1.54
TPSA67.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.54
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'}

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Related Compounds

2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111075326
N'-(imidazo[1,2-a]pyridin-2-ylmethyl)morpholine-4-carboximidamide
CID 111031170
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylguanidine
CID 110913540
1-cyclopropyl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylguanidine
CID 110029530
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
2-[[4-[[[amino-(butan-2-ylamino)methylidene]amino]methyl]phenyl]methyl]-1-butan-2-ylguanidine;hydroiodide
CID 110062304
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
4-imidazo[1,2-a]pyridin-2-yl-3-methylbutan-2-ol
CID 79422982
3-imidazo[1,2-a]pyridin-2-yl-2-methylpropan-1-amine
CID 83877207
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-octylguanidine;hydroiodide
CID 111040147
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-3-methylbutanoic acid
CID 43353990

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine (CID 110919308) is 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine is CCC(C)N/C(N)=N/Cc1cn2ccccc2n1.
What is the InChIKey of 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
The InChIKey is PGGNLRJPWLGUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-10(2)16-13(14)15-8-11-9-18-7-5-4-6-12(18)17-11/h4-7,9-10H,3,8H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine?
1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine has a molecular weight of 245.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-(imidazo[1,2-a]pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110919308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).