1,2-bis(3-bromophenyl)guanidine

C13H11Br2N3 — CID 46189840

IUPAC1,2-bis(3-bromophenyl)guanidine
SMILESN/C(=N\c1cccc(Br)c1)Nc1cccc(Br)c1
InChIInChI=1S/C13H11Br2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)
InChIKeyQMNLZADQHDQKJF-UHFFFAOYSA-N
MW369.06 g/mol
LogP4.27
Rot. Bonds2

About 1,2-bis(3-bromophenyl)guanidine

1,2-bis(3-bromophenyl)guanidine (PubChem CID 46189840) has the molecular formula C13H11Br2N3 and a molecular weight of 369.06 g/mol. Its IUPAC name is 1,2-bis(3-bromophenyl)guanidine.

Molecular Properties

Compound Name1,2-bis(3-bromophenyl)guanidine
PubChem CID46189840
Molecular FormulaC13H11Br2N3
Molecular Weight369.06 g/mol
Exact Mass366.93
IUPAC Name1,2-bis(3-bromophenyl)guanidine
SMILESN/C(=N\c1cccc(Br)c1)Nc1cccc(Br)c1
InChIInChI=1S/C13H11Br2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18)
InChIKeyQMNLZADQHDQKJF-UHFFFAOYSA-N
XLogP4.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.06
LogP ≤ 54.27
H-Bond Donors ≤ 52
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

4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
1,2-bis(3-phenylmethoxyphenyl)guanidine
CID 22675624
trans-(1R,2R)-1-N,2-N-bis(3-bromophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 1120968
N-(3-bromophenyl)-4-carbamothioylbenzamide
CID 24708303
(2Z)-N-(3-bromophenyl)-2-hydroxyiminoacetamide
CID 6401110
N,N'-bis(3-bromophenyl)methanimidamide
CID 525806
N-[3-(1-aminoethylideneamino)phenyl]acetamide
CID 63173502
N-(3-bromophenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 35436954
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
N-(3-bromophenyl)-2,3-diphenylcycloprop-2-ene-1-carboxamide
CID 1108038
N-[3-(diaminomethylideneamino)phenyl]acetamide;hydrochloride
CID 91619584

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-bromophenyl)guanidine?
The IUPAC name of 1,2-bis(3-bromophenyl)guanidine (CID 46189840) is 1,2-bis(3-bromophenyl)guanidine.
What is the SMILES notation for 1,2-bis(3-bromophenyl)guanidine?
The canonical SMILES for 1,2-bis(3-bromophenyl)guanidine is N/C(=N\c1cccc(Br)c1)Nc1cccc(Br)c1.
What is the InChIKey of 1,2-bis(3-bromophenyl)guanidine?
The InChIKey is QMNLZADQHDQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Br2N3/c14-9-3-1-5-11(7-9)17-13(16)18-12-6-2-4-10(15)8-12/h1-8H,(H3,16,17,18).
What are the key properties of 1,2-bis(3-bromophenyl)guanidine?
1,2-bis(3-bromophenyl)guanidine has a molecular weight of 369.06 g/mol, XLogP of 4.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-bromophenyl)guanidine is sourced from PubChem (CID 46189840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).