N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide

C22H19N5O — CID 142938962

IUPACN-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2Cc1ccc(C(=C)O)cc1
InChIInChI=1S/C22H19N5O/c1-14(28)16-8-6-15(7-9-16)13-27-20-5-3-2-4-18(20)19-12-17(10-11-21(19)27)22(23)25-26-24/h2-12,28H,1,13H2,(H3,23,24,25)
InChIKeyGOKPZRJCMZWMLZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP5.02
Rot. Bonds4

About N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide

N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide (PubChem CID 142938962) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide.

Molecular Properties

Compound NameN-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
PubChem CID142938962
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2Cc1ccc(C(=C)O)cc1
InChIInChI=1S/C22H19N5O/c1-14(28)16-8-6-15(7-9-16)13-27-20-5-3-2-4-18(20)19-12-17(10-11-21(19)27)22(23)25-26-24/h2-12,28H,1,13H2,(H3,23,24,25)
InChIKeyGOKPZRJCMZWMLZ-UHFFFAOYSA-N
XLogP5.02
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
(2S)-2-[[4-[[3-(N-iminocarbamimidoyl)carbazol-9-yl]methyl]benzoyl]amino]-4-oxobutanoic acid
CID 142938369
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
CID 142938358
(2S)-2-[[4-[[3-(N-iminocarbamimidoyl)carbazol-9-yl]methyl]benzoyl]amino]-4-oxobutanoic acid;methanol
CID 142938368
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316

Frequently Asked Questions

What is the IUPAC name of N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide?
The IUPAC name of N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide (CID 142938962) is N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide.
What is the SMILES notation for N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide?
The canonical SMILES for N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide is [H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2Cc1ccc(C(=C)O)cc1.
What is the InChIKey of N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide?
The InChIKey is GOKPZRJCMZWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14(28)16-8-6-15(7-9-16)13-27-20-5-3-2-4-18(20)19-12-17(10-11-21(19)27)22(23)25-26-24/h2-12,28H,1,13H2,(H3,23,24,25).
What are the key properties of N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide?
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide has a molecular weight of 369.43 g/mol, XLogP of 5.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide is sourced from PubChem (CID 142938962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).