1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine

C14H13Cl2N5 — CID 57357482

IUPAC1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine
SMILES[H]/N=C(\N)N(/C(N)=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N5/c15-9-1-5-11(6-2-9)20-14(19)21(13(17)18)12-7-3-10(16)4-8-12/h1-8H,(H3,17,18)(H2,19,20)
InChIKeyBNYOIEBKJWMIRC-UHFFFAOYSA-N
MW322.20 g/mol
LogP3.34
Rot. Bonds2

About 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine

1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine (PubChem CID 57357482) has the molecular formula C14H13Cl2N5 and a molecular weight of 322.20 g/mol. Its IUPAC name is 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine.

Molecular Properties

Compound Name1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine
PubChem CID57357482
Molecular FormulaC14H13Cl2N5
Molecular Weight322.20 g/mol
Exact Mass321.05
IUPAC Name1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine
SMILES[H]/N=C(\N)N(/C(N)=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13Cl2N5/c15-9-1-5-11(6-2-9)20-14(19)21(13(17)18)12-7-3-10(16)4-8-12/h1-8H,(H3,17,18)(H2,19,20)
InChIKeyBNYOIEBKJWMIRC-UHFFFAOYSA-N
XLogP3.34
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
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 ≤ 102

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-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine?
The IUPAC name of 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine (CID 57357482) is 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine.
What is the SMILES notation for 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine?
The canonical SMILES for 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine is [H]/N=C(\N)N(/C(N)=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine?
The InChIKey is BNYOIEBKJWMIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5/c15-9-1-5-11(6-2-9)20-14(19)21(13(17)18)12-7-3-10(16)4-8-12/h1-8H,(H3,17,18)(H2,19,20).
What are the key properties of 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine?
1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine has a molecular weight of 322.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-1,2-bis(4-chlorophenyl)guanidine is sourced from PubChem (CID 57357482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).