N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine

C20H18N4O2S — CID 73174852

IUPACN-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine
SMILESCON=Cc1ccc2c(c1)ncn2-c1cccc(COCc2nccs2)c1
InChIInChI=1S/C20H18N4O2S/c1-25-23-11-15-5-6-19-18(10-15)22-14-24(19)17-4-2-3-16(9-17)12-26-13-20-21-7-8-27-20/h2-11,14H,12-13H2,1H3
InChIKeyZJKFCGNHSOFNEX-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.18
Rot. Bonds7

About N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine

N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine (PubChem CID 73174852) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine.

Molecular Properties

Compound NameN-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine
PubChem CID73174852
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine
SMILESCON=Cc1ccc2c(c1)ncn2-c1cccc(COCc2nccs2)c1
InChIInChI=1S/C20H18N4O2S/c1-25-23-11-15-5-6-19-18(10-15)22-14-24(19)17-4-2-3-16(9-17)12-26-13-20-21-7-8-27-20/h2-11,14H,12-13H2,1H3
InChIKeyZJKFCGNHSOFNEX-UHFFFAOYSA-N
XLogP4.18
TPSA61.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine?
The IUPAC name of N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine (CID 73174852) is N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine.
What is the SMILES notation for N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine?
The canonical SMILES for N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine is CON=Cc1ccc2c(c1)ncn2-c1cccc(COCc2nccs2)c1.
What is the InChIKey of N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine?
The InChIKey is ZJKFCGNHSOFNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-25-23-11-15-5-6-19-18(10-15)22-14-24(19)17-4-2-3-16(9-17)12-26-13-20-21-7-8-27-20/h2-11,14H,12-13H2,1H3.
What are the key properties of N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine?
N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine has a molecular weight of 378.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[1-[3-(1,3-thiazol-2-ylmethoxymethyl)phenyl]benzimidazol-5-yl]methanimine is sourced from PubChem (CID 73174852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).