2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride

C15H17Cl2N5 — CID 90034255

IUPAC2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N\C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5.ClH/c16-12-8-6-11(7-9-12)13(10-4-2-1-3-5-10)20-15(19)21-14(17)18;/h1-9,13H,(H6,17,18,19,20,21);1H
InChIKeySEBIKTIVIXBRNQ-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.44
Rot. Bonds3

About 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride

2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride (PubChem CID 90034255) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride
PubChem CID90034255
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N\C(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5.ClH/c16-12-8-6-11(7-9-12)13(10-4-2-1-3-5-10)20-15(19)21-14(17)18;/h1-9,13H,(H6,17,18,19,20,21);1H
InChIKeySEBIKTIVIXBRNQ-UHFFFAOYSA-N
XLogP2.44
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

1-(diaminomethylidene)-2-(1-phenylpropyl)guanidine
CID 15411052
2-[1-(3-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 83036957
2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride
CID 175205005
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
1-benzhydryl-4-chlorobenzene
CID 13050205
2-[1-(4-chlorophenyl)-2-hydroxyethyl]guanidine
CID 130927020
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
2-[phenyl(pyridin-2-yl)methyl]guanidine
CID 54045340
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
CID 90028549
2-[1-(4-chlorophenyl)ethylamino]-2-phenylacetamide
CID 51074999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride (CID 90034255) is 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N\C(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride?
The InChIKey is SEBIKTIVIXBRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5.ClH/c16-12-8-6-11(7-9-12)13(10-4-2-1-3-5-10)20-15(19)21-14(17)18;/h1-9,13H,(H6,17,18,19,20,21);1H.
What are the key properties of 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride?
2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride has a molecular weight of 338.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-phenylmethyl]-1-(diaminomethylidene)guanidine;hydrochloride is sourced from PubChem (CID 90034255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).