2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride

C17H18Cl2N4O — CID 45261272

IUPAC2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride
SMILESCc1cccc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)O2.Cl
InChIInChI=1S/C17H17ClN4O.ClH/c1-10-5-4-8-14-16(10)13(21-22-17(19)20)9-15(23-14)11-6-2-3-7-12(11)18;/h2-8,15H,9H2,1H3,(H4,19,20,22);1H/b21-13+;
InChIKeyBVKUEPFEBBKFCQ-PGCULMPHSA-N
MW365.26 g/mol
LogP3.57
Rot. Bonds2

About 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride

2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride (PubChem CID 45261272) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride
PubChem CID45261272
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride
SMILESCc1cccc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)O2.Cl
InChIInChI=1S/C17H17ClN4O.ClH/c1-10-5-4-8-14-16(10)13(21-22-17(19)20)9-15(23-14)11-6-2-3-7-12(11)18;/h2-8,15H,9H2,1H3,(H4,19,20,22);1H/b21-13+;
InChIKeyBVKUEPFEBBKFCQ-PGCULMPHSA-N
XLogP3.57
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.57
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride (CID 45261272) is 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride is Cc1cccc2c1/C(=N/N=C(N)N)CC(c1ccccc1Cl)O2.Cl.
What is the InChIKey of 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride?
The InChIKey is BVKUEPFEBBKFCQ-PGCULMPHSA-N. The full InChI is InChI=1S/C17H17ClN4O.ClH/c1-10-5-4-8-14-16(10)13(21-22-17(19)20)9-15(23-14)11-6-2-3-7-12(11)18;/h2-8,15H,9H2,1H3,(H4,19,20,22);1H/b21-13+;.
What are the key properties of 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride?
2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride has a molecular weight of 365.26 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[2-(2-chlorophenyl)-5-methyl-2,3-dihydrochromen-4-ylidene]amino]guanidine;hydrochloride is sourced from PubChem (CID 45261272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).