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

C26H23N5O — CID 23648648

IUPAC1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C3CC3)cc2)n1
InChIInChI=1S/C26H23N5O/c1-30-16-22(18-12-14-27-15-13-18)26(29-30)19-6-10-21(11-7-19)32-17-25-28-23-4-2-3-5-24(23)31(25)20-8-9-20/h2-7,10-16,20H,8-9,17H2,1H3
InChIKeyPIGZRAMKCKGDEB-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.41
Rot. Bonds6

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

1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole (PubChem CID 23648648) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
PubChem CID23648648
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC Name1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole
SMILESCn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C3CC3)cc2)n1
InChIInChI=1S/C26H23N5O/c1-30-16-22(18-12-14-27-15-13-18)26(29-30)19-6-10-21(11-7-19)32-17-25-28-23-4-2-3-5-24(23)31(25)20-8-9-20/h2-7,10-16,20H,8-9,17H2,1H3
InChIKeyPIGZRAMKCKGDEB-UHFFFAOYSA-N
XLogP5.41
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The IUPAC name of 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole (CID 23648648) is 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The canonical SMILES for 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole is Cn1cc(-c2ccncc2)c(-c2ccc(OCc3nc4ccccc4n3C3CC3)cc2)n1.
What is the InChIKey of 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
The InChIKey is PIGZRAMKCKGDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-30-16-22(18-12-14-27-15-13-18)26(29-30)19-6-10-21(11-7-19)32-17-25-28-23-4-2-3-5-24(23)31(25)20-8-9-20/h2-7,10-16,20H,8-9,17H2,1H3.
What are the key properties of 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole?
1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole has a molecular weight of 421.50 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]benzimidazole is sourced from PubChem (CID 23648648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).