1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole

C24H21N5O — CID 23648644

IUPAC1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C24H21N5O/c1-28-15-20(17-11-13-25-14-12-17)24(27-28)18-7-9-19(10-8-18)30-16-23-26-21-5-3-4-6-22(21)29(23)2/h3-15H,16H2,1-2H3
InChIKeyFHQWSFMPRITQCW-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.61
Rot. Bonds5

About 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole

1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole (PubChem CID 23648644) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
PubChem CID23648644
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C)cc2)n1
InChIInChI=1S/C24H21N5O/c1-28-15-20(17-11-13-25-14-12-17)24(27-28)18-7-9-19(10-8-18)30-16-23-26-21-5-3-4-6-22(21)29(23)2/h3-15H,16H2,1-2H3
InChIKeyFHQWSFMPRITQCW-UHFFFAOYSA-N
XLogP4.61
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648648
2-[[4-(1-(111C)methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]pyrido[3,2-d]pyrimidine
CID 72706913
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-[1,3]oxazolo[5,4-b]pyridine
CID 140627223
1-methyl-2-[[4-(2-pyridin-4-ylimidazol-1-yl)phenoxy]methyl]benzimidazole
CID 23648786
butanedioic acid;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 24857794
2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]-1,6-naphthyridine
CID 140627213
7-chloro-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline;hydron;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoxaline;chloride
CID 69225611
N-[2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-yl]methanesulfonamide
CID 167444521
4-(1-methyl-4-phenylpyrazol-3-yl)pyridine
CID 20716425
5-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 166210227
1-methyl-2-(1-methyl-3-phenylpyrazol-4-yl)benzimidazole
CID 8005690
2-[3-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpyrazol-1-yl]ethanol
CID 118375206

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole (CID 23648644) is 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C)cc2)n1.
What is the InChIKey of 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The InChIKey is FHQWSFMPRITQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-28-15-20(17-11-13-25-14-12-17)24(27-28)18-7-9-19(10-8-18)30-16-23-26-21-5-3-4-6-22(21)29(23)2/h3-15H,16H2,1-2H3.
What are the key properties of 1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole has a molecular weight of 395.47 g/mol, XLogP of 4.61, 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-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole is sourced from PubChem (CID 23648644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).