1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole

C23H19N5O — CID 70813169

IUPAC1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(OCc2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C23H19N5O/c1-27-14-20(18-10-12-24-13-11-18)23(26-27)29-15-17-6-8-19(9-7-17)28-16-25-21-4-2-3-5-22(21)28/h2-14,16H,15H2,1H3
InChIKeyHONRQXWODOIQNF-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole

1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole (PubChem CID 70813169) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole
PubChem CID70813169
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(OCc2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C23H19N5O/c1-27-14-20(18-10-12-24-13-11-18)23(26-27)29-15-17-6-8-19(9-7-17)28-16-25-21-4-2-3-5-22(21)28/h2-14,16H,15H2,1H3
InChIKeyHONRQXWODOIQNF-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

3-chloro-2-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]quinoline
CID 70813184
6-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]imidazo[2,1-b][1,3]thiazole
CID 70813336
1-methyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
CID 23648644
1-(4-ethoxyphenyl)benzimidazole
CID 175001446
1-[4-(benzimidazol-1-yl)phenyl]propan-2-amine
CID 55237590
N-[4-(benzimidazol-1-yl)phenyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55575206
1-methyl-5-[1-methyl-3-[[4-(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]methoxy]pyrazol-4-yl]pyridin-2-one
CID 70813251
4-iodo-1-methyl-3-phenylmethoxypyrazole
CID 70813033
3-(benzimidazol-1-yl)-1-methylpyrazol-4-amine
CID 103078998
5-[3-[[4-(3-ethylquinolin-2-yl)phenyl]methoxy]-1-methylpyrazol-4-yl]-1-methylpyridin-2-one
CID 66555443
1-[4-[(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methyl]phenyl]benzimidazole
CID 167905680
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole?
The IUPAC name of 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole (CID 70813169) is 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole?
The canonical SMILES for 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole is Cn1cc(-c2ccncc2)c(OCc2ccc(-n3cnc4ccccc43)cc2)n1.
What is the InChIKey of 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole?
The InChIKey is HONRQXWODOIQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-27-14-20(18-10-12-24-13-11-18)23(26-27)29-15-17-6-8-19(9-7-17)28-16-25-21-4-2-3-5-22(21)28/h2-14,16H,15H2,1H3.
What are the key properties of 1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole?
1-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]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-[4-[(1-methyl-4-pyridin-4-ylpyrazol-3-yl)oxymethyl]phenyl]benzimidazole is sourced from PubChem (CID 70813169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).