(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine

C23H20N4O — CID 35580856

IUPAC(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
SMILESCOc1ccc(/C=N\N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O/c1-28-19-13-11-17(12-14-19)16-24-27-22(18-7-3-2-4-8-18)15-23-25-20-9-5-6-10-21(20)26-23/h2-14,16H,15H2,1H3,(H,25,26)/b24-16-,27-22-
InChIKeyOEFSALHUWWWEHR-JIHVENOJSA-N
MW368.44 g/mol
LogP4.64
Rot. Bonds6

About (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine

(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine (PubChem CID 35580856) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine.

Molecular Properties

Compound Name(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
PubChem CID35580856
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine
SMILESCOc1ccc(/C=N\N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)cc1
InChIInChI=1S/C23H20N4O/c1-28-19-13-11-17(12-14-19)16-24-27-22(18-7-3-2-4-8-18)15-23-25-20-9-5-6-10-21(20)26-23/h2-14,16H,15H2,1H3,(H,25,26)/b24-16-,27-22-
InChIKeyOEFSALHUWWWEHR-JIHVENOJSA-N
XLogP4.64
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
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-[(E)-[2-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)ethylidene]amino]aniline
CID 6520440
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
CID 71951324
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]cyclopentanimine
CID 4656710
N-[(E)-(4-methoxyphenyl)methylideneamino]-3-oxo-4H-quinoxaline-2-carboxamide
CID 90481653
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine
CID 3489613
3-[(Z)-1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 92929852
N-[[2-(1H-benzimidazol-2-yl)-1-(4-bromophenyl)ethylidene]amino]aniline
CID 4621392
5-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 42536763
N-[3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-3-bromobenzamide
CID 3818722
N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 6533664
N-[[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-3-nitrobenzamide
CID 5083022

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine?
The IUPAC name of (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine (CID 35580856) is (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine.
What is the SMILES notation for (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine?
The canonical SMILES for (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine is COc1ccc(/C=N\N=C(\Cc2nc3ccccc3[nH]2)c2ccccc2)cc1.
What is the InChIKey of (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine?
The InChIKey is OEFSALHUWWWEHR-JIHVENOJSA-N. The full InChI is InChI=1S/C23H20N4O/c1-28-19-13-11-17(12-14-19)16-24-27-22(18-7-3-2-4-8-18)15-23-25-20-9-5-6-10-21(20)26-23/h2-14,16H,15H2,1H3,(H,25,26)/b24-16-,27-22-.
What are the key properties of (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine?
(Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine has a molecular weight of 368.44 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(1H-benzimidazol-2-yl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]-1-phenylethanimine is sourced from PubChem (CID 35580856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).