1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride

C19H18ClN7 — CID 135915344

IUPAC1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.N/C(=N/N=C\c1c[nH]c2ccccc12)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N7.ClH/c20-19(25-23-11-13-9-21-17-7-3-1-5-15(13)17)26-24-12-14-10-22-18-8-4-2-6-16(14)18;/h1-12,21-22H,(H3,20,25,26);1H/b23-11-,24-12-;
InChIKeyCMYYQVAAQVXGSR-YVYRESBNSA-N
MW379.86 g/mol
LogP3.34
Rot. Bonds4

About 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride

1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride (PubChem CID 135915344) has the molecular formula C19H18ClN7 and a molecular weight of 379.86 g/mol. Its IUPAC name is 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
PubChem CID135915344
Molecular FormulaC19H18ClN7
Molecular Weight379.86 g/mol
Exact Mass379.13
IUPAC Name1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
SMILESCl.N/C(=N/N=C\c1c[nH]c2ccccc12)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C19H17N7.ClH/c20-19(25-23-11-13-9-21-17-7-3-1-5-15(13)17)26-24-12-14-10-22-18-8-4-2-6-16(14)18;/h1-12,21-22H,(H3,20,25,26);1H/b23-11-,24-12-;
InChIKeyCMYYQVAAQVXGSR-YVYRESBNSA-N
XLogP3.34
TPSA106.71 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.86
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
CID 136864979
1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
CID 3913229
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 172938324
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
1-[(E)-(2-hydroxyphenyl)methylideneamino]-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine
CID 136795111
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride?
The IUPAC name of 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride (CID 135915344) is 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride is Cl.N/C(=N/N=C\c1c[nH]c2ccccc12)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride?
The InChIKey is CMYYQVAAQVXGSR-YVYRESBNSA-N. The full InChI is InChI=1S/C19H17N7.ClH/c20-19(25-23-11-13-9-21-17-7-3-1-5-15(13)17)26-24-12-14-10-22-18-8-4-2-6-16(14)18;/h1-12,21-22H,(H3,20,25,26);1H/b23-11-,24-12-;.
What are the key properties of 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride?
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride has a molecular weight of 379.86 g/mol, XLogP of 3.34, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 135915344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).