1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine

C14H13Cl2N5 — CID 70442681

IUPAC1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N=C(N)N)N(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2N5/c15-9-5-1-3-7-11(9)21(14(19)20-13(17)18)12-8-4-2-6-10(12)16/h1-8H,(H5,17,18,19,20)
InChIKeyCXGIKRPYHWKHCU-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.34
Rot. Bonds2

About 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine

1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine (PubChem CID 70442681) has the molecular formula C14H13Cl2N5 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine
PubChem CID70442681
Molecular FormulaC14H13Cl2N5
Molecular Weight322.20 g/mol
Exact Mass321.05
IUPAC Name1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine
SMILES[H]/N=C(\N=C(N)N)N(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2N5/c15-9-5-1-3-7-11(9)21(14(19)20-13(17)18)12-8-4-2-6-10(12)16/h1-8H,(H5,17,18,19,20)
InChIKeyCXGIKRPYHWKHCU-UHFFFAOYSA-N
XLogP3.34
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine?
The IUPAC name of 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine (CID 70442681) is 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine.
What is the SMILES notation for 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine?
The canonical SMILES for 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine is [H]/N=C(\N=C(N)N)N(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine?
The InChIKey is CXGIKRPYHWKHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5/c15-9-5-1-3-7-11(9)21(14(19)20-13(17)18)12-8-4-2-6-10(12)16/h1-8H,(H5,17,18,19,20).
What are the key properties of 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine?
1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine has a molecular weight of 322.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-chlorophenyl)-3-(diaminomethylidene)guanidine is sourced from PubChem (CID 70442681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).