2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine

C10H10BrN5 — CID 135460270

IUPAC2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H10BrN5/c11-7-1-2-9-8(3-7)6(4-14-9)5-15-16-10(12)13/h1-5,14H,(H4,12,13,16)/b15-5-
InChIKeyFENBNNFSZUQLQX-WCSRMQSCSA-N
MW280.13 g/mol
LogP1.54
Rot. Bonds2

About 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine

2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine (PubChem CID 135460270) has the molecular formula C10H10BrN5 and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
PubChem CID135460270
Molecular FormulaC10H10BrN5
Molecular Weight280.13 g/mol
Exact Mass279.01
IUPAC Name2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C\c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C10H10BrN5/c11-7-1-2-9-8(3-7)6(4-14-9)5-15-16-10(12)13/h1-5,14H,(H4,12,13,16)/b15-5-
InChIKeyFENBNNFSZUQLQX-WCSRMQSCSA-N
XLogP1.54
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 51.54
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

(E)-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-1,1-diphenylmethanimine
CID 135676058
2-[(6-bromo-1,4-dimethyl-9H-carbazol-3-yl)methylideneamino]guanidine
CID 168592786
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-N'-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]pentanediamide
CID 135509604
(Z)-3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enamide
CID 951959
3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enamide
CID 3150781
N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-2-chlorobenzamide
CID 136773544
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]imidazolidine-2,4-dione
CID 135788219
5,7-dibromo-N-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]-1-benzofuran-2-carboxamide
CID 135563380
5-bromo-N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridin-2-amine
CID 172990751
1-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]-3-(2-methoxyethyl)thiourea
CID 135689914
N-[(E)-(5-bromo-1H-indol-3-yl)methylideneamino]pyridine-3-carboxamide
CID 135755129
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine (CID 135460270) is 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine is NC(N)=N/N=C\c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine?
The InChIKey is FENBNNFSZUQLQX-WCSRMQSCSA-N. The full InChI is InChI=1S/C10H10BrN5/c11-7-1-2-9-8(3-7)6(4-14-9)5-15-16-10(12)13/h1-5,14H,(H4,12,13,16)/b15-5-.
What are the key properties of 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine?
2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine has a molecular weight of 280.13 g/mol, XLogP of 1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(5-bromo-1H-indol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 135460270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).