2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine

C16H16BrN5 — CID 168592786

IUPAC2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
SMILESCc1cc(C=NN=C(N)N)c(C)c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C16H16BrN5/c1-8-5-10(7-20-22-16(18)19)9(2)14-12-6-11(17)3-4-13(12)21-15(8)14/h3-7,21H,1-2H3,(H4,18,19,22)
InChIKeyQAOLWCWMWHSZEG-UHFFFAOYSA-N
MW358.24 g/mol
LogP3.31
Rot. Bonds2

About 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine

2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine (PubChem CID 168592786) has the molecular formula C16H16BrN5 and a molecular weight of 358.24 g/mol. Its IUPAC name is 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
PubChem CID168592786
Molecular FormulaC16H16BrN5
Molecular Weight358.24 g/mol
Exact Mass357.06
IUPAC Name2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
SMILESCc1cc(C=NN=C(N)N)c(C)c2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C16H16BrN5/c1-8-5-10(7-20-22-16(18)19)9(2)14-12-6-11(17)3-4-13(12)21-15(8)14/h3-7,21H,1-2H3,(H4,18,19,22)
InChIKeyQAOLWCWMWHSZEG-UHFFFAOYSA-N
XLogP3.31
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.24
LogP ≤ 53.31
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576342
2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
CID 135460270
10-bromo-6-methyl-7H-benzo[c]carbazole
CID 71526861
2-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]guanidine
CID 9057981
2-[(E)-2-[5-bromo-2-(4-methylphenyl)-1H-indol-3-yl]ethylideneamino]guanidine
CID 24885019
(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)-(2,4,5-trimethoxyphenyl)methanone
CID 71699101
ethyl 2-[4-bromo-2-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 168590773
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
2-[[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]guanidine
CID 76872439
1,4-dimethyl-6-phenoxy-9H-carbazole-3-carbaldehyde
CID 10064291
1-amino-8-bromo-5H-pyrido[4,3-b]indol-2-ium-4-carboxamide
CID 123438607
2-[(5-bromo-2-pentoxyphenyl)methylideneamino]guanidine
CID 168590980

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine (CID 168592786) is 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine is Cc1cc(C=NN=C(N)N)c(C)c2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine?
The InChIKey is QAOLWCWMWHSZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5/c1-8-5-10(7-20-22-16(18)19)9(2)14-12-6-11(17)3-4-13(12)21-15(8)14/h3-7,21H,1-2H3,(H4,18,19,22).
What are the key properties of 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine?
2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine has a molecular weight of 358.24 g/mol, XLogP of 3.31, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 168592786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).