N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline

C22H20N6 — CID 135576795

IUPACN-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
SMILESCC(=N\Nc1ccccc1)/C(=N/Nc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N6/c1-16(25-26-17-10-4-2-5-11-17)21(28-27-18-12-6-3-7-13-18)22-23-19-14-8-9-15-20(19)24-22/h2-15,26-27H,1H3,(H,23,24)/b25-16+,28-21-
InChIKeyGMXBBYKCDCOUPQ-NGSWFJJDSA-N
MW368.44 g/mol
LogP4.87
Rot. Bonds6

About N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline

N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline (PubChem CID 135576795) has the molecular formula C22H20N6 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
PubChem CID135576795
Molecular FormulaC22H20N6
Molecular Weight368.44 g/mol
Exact Mass368.17
IUPAC NameN-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
SMILESCC(=N\Nc1ccccc1)/C(=N/Nc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N6/c1-16(25-26-17-10-4-2-5-11-17)21(28-27-18-12-6-3-7-13-18)22-23-19-14-8-9-15-20(19)24-22/h2-15,26-27H,1H3,(H,23,24)/b25-16+,28-21-
InChIKeyGMXBBYKCDCOUPQ-NGSWFJJDSA-N
XLogP4.87
TPSA77.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-[(1E)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
CID 135773416
N-[bis(1H-benzimidazol-2-yl)methylideneamino]-4-methoxyaniline
CID 135921055
(2Z)-N-(4-hydroxyanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 136822653
4-[2-[1H-benzimidazol-2-yl(cyano)methylidene]hydrazinyl]benzoic acid
CID 4094799
(2E)-N-(3-fluoroanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 135576853
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
3-[(E)-N-anilino-C-(2,3,4,5,6-pentafluorobenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 171981705
N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine
CID 171770166
(2Z)-2-(3-oxo-4H-quinoxalin-2-yl)-2-(phenylhydrazinylidene)acetaldehyde
CID 135548597
1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
CID 135580435
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline?
The IUPAC name of N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline (CID 135576795) is N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline?
The canonical SMILES for N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline is CC(=N\Nc1ccccc1)/C(=N/Nc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline?
The InChIKey is GMXBBYKCDCOUPQ-NGSWFJJDSA-N. The full InChI is InChI=1S/C22H20N6/c1-16(25-26-17-10-4-2-5-11-17)21(28-27-18-12-6-3-7-13-18)22-23-19-14-8-9-15-20(19)24-22/h2-15,26-27H,1H3,(H,23,24)/b25-16+,28-21-.
What are the key properties of N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline?
N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline has a molecular weight of 368.44 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline is sourced from PubChem (CID 135576795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).