N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine

C20H21N5 — CID 6161658

IUPACN-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine
SMILESCN1/C(=C\C=N/Nc2nc3ccccc3[nH]2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H21N5/c1-20(2)14-8-4-7-11-17(14)25(3)18(20)12-13-21-24-19-22-15-9-5-6-10-16(15)23-19/h4-13H,1-3H3,(H2,22,23,24)/b18-12-,21-13-
InChIKeyZVJKSSTXCHSUPF-YLNLGVMWSA-N
MW331.42 g/mol
LogP4.27
Rot. Bonds3

About N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine

N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine (PubChem CID 6161658) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine
PubChem CID6161658
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine
SMILESCN1/C(=C\C=N/Nc2nc3ccccc3[nH]2)C(C)(C)c2ccccc21
InChIInChI=1S/C20H21N5/c1-20(2)14-8-4-7-11-17(14)25(3)18(20)12-13-21-24-19-22-15-9-5-6-10-16(15)23-19/h4-13H,1-3H3,(H2,22,23,24)/b18-12-,21-13-
InChIKeyZVJKSSTXCHSUPF-YLNLGVMWSA-N
XLogP4.27
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine with MolForge

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Related Compounds

4-methyl-2-[(2Z)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135796357
(2Z)-1,3,3-trimethyl-2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]indole
CID 18806794
2-chloro-5-[(2E)-2-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]hydrazinyl]benzoate
CID 6901436
2-phenyl-N-[(E)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]acetamide
CID 6906259
4-nitro-N-[[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]benzamide
CID 15945089
N-(4-methoxyphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine;hydrochloride
CID 170839740
(E,2E)-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 177394036
(E,4Z)-2-(1H-benzimidazol-2-yl)-4-(1,3,3-trimethylindol-2-ylidene)but-2-enenitrile;(2Z)-N-(4-methoxyphenyl)-2-(1,3,3,7-tetramethylindol-2-ylidene)ethanimine;2-[(2E)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]propanedinitrile
CID 158736978
2,6-dinitro-4-(trifluoromethyl)-N-[2-(1,3,3-trimethylindol-2-ylidene)ethylideneamino]aniline
CID 4073260
N-(2-methylprop-2-enylideneamino)-1H-benzimidazol-2-amine
CID 131854072
(2Z)-N-(4-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 2334878
N-(2-tert-butylphenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanimine
CID 5215508

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine (CID 6161658) is N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine is CN1/C(=C\C=N/Nc2nc3ccccc3[nH]2)C(C)(C)c2ccccc21.
What is the InChIKey of N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine?
The InChIKey is ZVJKSSTXCHSUPF-YLNLGVMWSA-N. The full InChI is InChI=1S/C20H21N5/c1-20(2)14-8-4-7-11-17(14)25(3)18(20)12-13-21-24-19-22-15-9-5-6-10-16(15)23-19/h4-13H,1-3H3,(H2,22,23,24)/b18-12-,21-13-.
What are the key properties of N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine?
N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine has a molecular weight of 331.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)ethylidene]amino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6161658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).