N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline

C22H20N4O — CID 6520440

IUPACN-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
SMILESCOc1ccc(/C(Cc2nc3ccccc3[nH]2)=N/Nc2ccccc2)cc1
InChIInChI=1S/C22H20N4O/c1-27-18-13-11-16(12-14-18)21(26-25-17-7-3-2-4-8-17)15-22-23-19-9-5-6-10-20(19)24-22/h2-14,25H,15H2,1H3,(H,23,24)/b26-21+
InChIKeyVBCNXPODXHCOHW-YYADALCUSA-N
MW356.43 g/mol
LogP4.63
Rot. Bonds6

About N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline

N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline (PubChem CID 6520440) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline.

Molecular Properties

Compound NameN-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
PubChem CID6520440
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
SMILESCOc1ccc(/C(Cc2nc3ccccc3[nH]2)=N/Nc2ccccc2)cc1
InChIInChI=1S/C22H20N4O/c1-27-18-13-11-16(12-14-18)21(26-25-17-7-3-2-4-8-17)15-22-23-19-9-5-6-10-20(19)24-22/h2-14,25H,15H2,1H3,(H,23,24)/b26-21+
InChIKeyVBCNXPODXHCOHW-YYADALCUSA-N
XLogP4.63
TPSA62.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.63
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'}

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Related Compounds

N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392
(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
CID 35580856
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
CID 3489613
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
N-[bis(1H-benzimidazol-2-yl)methylideneamino]-4-methoxyaniline
CID 135921055
3-[(E)-N-anilino-C-(4-methoxybenzoyl)carbonimidoyl]-1H-quinoxalin-2-one
CID 135423303
2-[(4-methoxyphenyl)hydrazinylidene]-2-phenylethanol
CID 88811907
3-[(E)-C-benzoyl-N-(4-methoxyanilino)carbonimidoyl]-1H-quinoxalin-2-one
CID 135545421
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 13196132
3-[(2E)-2-[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]hydrazinyl]propanenitrile
CID 6520359
N-[(Z)-1-[4-(difluoromethoxy)phenyl]propylideneamino]-1H-benzimidazol-2-amine
CID 6529655
1-[4-(1H-benzimidazol-2-ylmethoxy)phenyl]-3-(4-methoxyphenyl)thiourea
CID 3069269

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline?
The IUPAC name of N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline (CID 6520440) is N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline.
What is the SMILES notation for N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline?
The canonical SMILES for N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline is COc1ccc(/C(Cc2nc3ccccc3[nH]2)=N/Nc2ccccc2)cc1.
What is the InChIKey of N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline?
The InChIKey is VBCNXPODXHCOHW-YYADALCUSA-N. The full InChI is InChI=1S/C22H20N4O/c1-27-18-13-11-16(12-14-18)21(26-25-17-7-3-2-4-8-17)15-22-23-19-9-5-6-10-20(19)24-22/h2-14,25H,15H2,1H3,(H,23,24)/b26-21+.
What are the key properties of N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline?
N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline has a molecular weight of 356.43 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline is sourced from PubChem (CID 6520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).