2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine

C16H17N6+ — CID 6076678

IUPAC2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
SMILESCn1c(-c2ccc(/C=N\N=C(N)N)cc2)c[n+]2ccccc12
InChIInChI=1S/C16H17N6/c1-21-14(11-22-9-3-2-4-15(21)22)13-7-5-12(6-8-13)10-19-20-16(17)18/h2-11H,1H3,(H4,17,18,20)/q+1/b19-10-
InChIKeyULNMCQRZYXLRSD-GRSHGNNSSA-N
MW293.35 g/mol
LogP1.04
Rot. Bonds3

About 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine

2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine (PubChem CID 6076678) has the molecular formula C16H17N6+ and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
PubChem CID6076678
Molecular FormulaC16H17N6+
Molecular Weight293.35 g/mol
Exact Mass293.15
IUPAC Name2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine
SMILESCn1c(-c2ccc(/C=N\N=C(N)N)cc2)c[n+]2ccccc12
InChIInChI=1S/C16H17N6/c1-21-14(11-22-9-3-2-4-15(21)22)13-7-5-12(6-8-13)10-19-20-16(17)18/h2-11H,1H3,(H4,17,18,20)/q+1/b19-10-
InChIKeyULNMCQRZYXLRSD-GRSHGNNSSA-N
XLogP1.04
TPSA85.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.04
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine (CID 6076678) is 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine is Cn1c(-c2ccc(/C=N\N=C(N)N)cc2)c[n+]2ccccc12.
What is the InChIKey of 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine?
The InChIKey is ULNMCQRZYXLRSD-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H17N6/c1-21-14(11-22-9-3-2-4-15(21)22)13-7-5-12(6-8-13)10-19-20-16(17)18/h2-11H,1H3,(H4,17,18,20)/q+1/b19-10-.
What are the key properties of 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine?
2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine has a molecular weight of 293.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 6076678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).