4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

C24H22N4O2 — CID 118986847

IUPAC4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-15-12-21-22(13-16(15)2)27-23(26-21)18-6-8-19(9-7-18)24(29)28-25-14-17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
InChIKeyGMECRCCPVOQLSH-AFUMVMLFSA-N
MW398.47 g/mol
LogP4.62
Rot. Bonds5

About 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 118986847) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
PubChem CID118986847
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1
InChIInChI=1S/C24H22N4O2/c1-15-12-21-22(13-16(15)2)27-23(26-21)18-6-8-19(9-7-18)24(29)28-25-14-17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+
InChIKeyGMECRCCPVOQLSH-AFUMVMLFSA-N
XLogP4.62
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.62
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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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (CID 118986847) is 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cc2)cc1.
What is the InChIKey of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is GMECRCCPVOQLSH-AFUMVMLFSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-12-21-22(13-16(15)2)27-23(26-21)18-6-8-19(9-7-18)24(29)28-25-14-17-4-10-20(30-3)11-5-17/h4-14H,1-3H3,(H,26,27)(H,28,29)/b25-14+.
What are the key properties of 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 398.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 118986847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).