1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine

C16H15N5 — CID 136864979

IUPAC1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
SMILESN/C(=N\c1ccccc1)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N5/c17-16(20-13-6-2-1-3-7-13)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H3,17,20,21)/b19-11-
InChIKeyFBKVMQMNXKDTOJ-ODLFYWEKSA-N
MW277.33 g/mol
LogP2.74
Rot. Bonds3

About 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine

1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine (PubChem CID 136864979) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine.

Molecular Properties

Compound Name1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
PubChem CID136864979
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
SMILESN/C(=N\c1ccccc1)N/N=C\c1c[nH]c2ccccc12
InChIInChI=1S/C16H15N5/c17-16(20-13-6-2-1-3-7-13)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H3,17,20,21)/b19-11-
InChIKeyFBKVMQMNXKDTOJ-ODLFYWEKSA-N
XLogP2.74
TPSA78.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.74
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

1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
CID 135915344
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
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
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-(1H-indol-3-ylmethylideneamino)pyridine-4-carboxamide
CID 5488

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine?
The IUPAC name of 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine (CID 136864979) is 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine.
What is the SMILES notation for 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine?
The canonical SMILES for 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine is N/C(=N\c1ccccc1)N/N=C\c1c[nH]c2ccccc12.
What is the InChIKey of 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine?
The InChIKey is FBKVMQMNXKDTOJ-ODLFYWEKSA-N. The full InChI is InChI=1S/C16H15N5/c17-16(20-13-6-2-1-3-7-13)21-19-11-12-10-18-15-9-5-4-8-14(12)15/h1-11,18H,(H3,17,20,21)/b19-11-.
What are the key properties of 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine?
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine has a molecular weight of 277.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine is sourced from PubChem (CID 136864979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).