1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole

C23H19N5O — CID 23648786

IUPAC1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole
SMILESCn1c(COc2ccc(-n3ccnc3-c3ccncc3)cc2)nc2ccccc21
InChIInChI=1S/C23H19N5O/c1-27-21-5-3-2-4-20(21)26-22(27)16-29-19-8-6-18(7-9-19)28-15-14-25-23(28)17-10-12-24-13-11-17/h2-15H,16H2,1H3
InChIKeyKYUTZUACLULUEN-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.40
Rot. Bonds5

About 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole

1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole (PubChem CID 23648786) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole
PubChem CID23648786
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole
SMILESCn1c(COc2ccc(-n3ccnc3-c3ccncc3)cc2)nc2ccccc21
InChIInChI=1S/C23H19N5O/c1-27-21-5-3-2-4-20(21)26-22(27)16-29-19-8-6-18(7-9-19)28-15-14-25-23(28)17-10-12-24-13-11-17/h2-15H,16H2,1H3
InChIKeyKYUTZUACLULUEN-UHFFFAOYSA-N
XLogP4.40
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648644
4-[2-(4-methoxyphenyl)imidazol-1-yl]pyridine
CID 57150181
1-[3-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]pyrrole-2,5-diol
CID 54045583
cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methanol
CID 10641616
3-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-sulfanylpropanamide
CID 141073954
1-[4-(2-methylimidazol-1-yl)butyl]-2-[(4-methylphenoxy)methyl]benzimidazole
CID 75397016
O-[cyclohexyl-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]methyl]hydroxylamine
CID 10595008
1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648648
5-chloro-1-methyl-2-(phenoxymethyl)benzimidazole
CID 46310360
2-(1-methylbenzimidazol-2-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 83961969
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
1-methyl-2-(1-methylimidazol-2-yl)benzimidazole
CID 71348433

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole (CID 23648786) is 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole is Cn1c(COc2ccc(-n3ccnc3-c3ccncc3)cc2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole?
The InChIKey is KYUTZUACLULUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-27-21-5-3-2-4-20(21)26-22(27)16-29-19-8-6-18(7-9-19)28-15-14-25-23(28)17-10-12-24-13-11-17/h2-15H,16H2,1H3.
What are the key properties of 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole?
1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole has a molecular weight of 381.44 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole is sourced from PubChem (CID 23648786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).