[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate

C23H25N5O3 — CID 89459734

IUPAC[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
SMILESCCn1cnc2cc(NC(=O)OCc3cc(-c4ccc(C)cc4OC)nn3C)ccc21
InChIInChI=1S/C23H25N5O3/c1-5-28-14-24-20-11-16(7-9-21(20)28)25-23(29)31-13-17-12-19(26-27(17)3)18-8-6-15(2)10-22(18)30-4/h6-12,14H,5,13H2,1-4H3,(H,25,29)
InChIKeyYSGHXFOETQXAMR-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.52
Rot. Bonds6

About [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate

[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate (PubChem CID 89459734) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Name[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
PubChem CID89459734
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
SMILESCCn1cnc2cc(NC(=O)OCc3cc(-c4ccc(C)cc4OC)nn3C)ccc21
InChIInChI=1S/C23H25N5O3/c1-5-28-14-24-20-11-16(7-9-21(20)28)25-23(29)31-13-17-12-19(26-27(17)3)18-8-6-15(2)10-22(18)30-4/h6-12,14H,5,13H2,1-4H3,(H,25,29)
InChIKeyYSGHXFOETQXAMR-UHFFFAOYSA-N
XLogP4.52
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
The IUPAC name of [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate (CID 89459734) is [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
The canonical SMILES for [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate is CCn1cnc2cc(NC(=O)OCc3cc(-c4ccc(C)cc4OC)nn3C)ccc21.
What is the InChIKey of [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
The InChIKey is YSGHXFOETQXAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-5-28-14-24-20-11-16(7-9-21(20)28)25-23(29)31-13-17-12-19(26-27(17)3)18-8-6-15(2)10-22(18)30-4/h6-12,14H,5,13H2,1-4H3,(H,25,29).
What are the key properties of [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
[3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate has a molecular weight of 419.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxy-4-methylphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 89459734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).