1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine

C16H15N5 — CID 135801494

IUPAC1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
SMILES[H]/N=C(\N)N(/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N5/c17-16(18)21(13-6-2-1-3-7-13)20-11-12-10-19-15-9-5-4-8-14(12)15/h1-11,19H,(H3,17,18)/b20-11+
InChIKeyTYLLKAWWSGGOPZ-RGVLZGJSSA-N
MW277.33 g/mol
LogP2.90
Rot. Bonds3

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

1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine (PubChem CID 135801494) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine.

Molecular Properties

Compound Name1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
PubChem CID135801494
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
SMILES[H]/N=C(\N)N(/N=C/c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N5/c17-16(18)21(13-6-2-1-3-7-13)20-11-12-10-19-15-9-5-4-8-14(12)15/h1-11,19H,(H3,17,18)/b20-11+
InChIKeyTYLLKAWWSGGOPZ-RGVLZGJSSA-N
XLogP2.90
TPSA81.26 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 ≤ 52.90
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-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid
CID 135802071
N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
CID 135571922
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
CID 3913229
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
CID 136864979
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
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)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-1-pentylguanidine
CID 136623697

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine?
The IUPAC name of 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine (CID 135801494) is 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine.
What is the SMILES notation for 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine?
The canonical SMILES for 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine is [H]/N=C(\N)N(/N=C/c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine?
The InChIKey is TYLLKAWWSGGOPZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H15N5/c17-16(18)21(13-6-2-1-3-7-13)20-11-12-10-19-15-9-5-4-8-14(12)15/h1-11,19H,(H3,17,18)/b20-11+.
What are the key properties of 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine?
1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine has a molecular weight of 277.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine is sourced from PubChem (CID 135801494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).