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

C22H22FN5O3 — CID 89459726

IUPAC[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
SMILESCCn1cnc2cc(NC(=O)OCc3cc(-c4ccc(F)cc4OC)nn3C)ccc21
InChIInChI=1S/C22H22FN5O3/c1-4-28-13-24-19-10-15(6-8-20(19)28)25-22(29)31-12-16-11-18(26-27(16)2)17-7-5-14(23)9-21(17)30-3/h5-11,13H,4,12H2,1-3H3,(H,25,29)
InChIKeyRVUIBLXWKZPVSM-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.35
Rot. Bonds6

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

[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate (PubChem CID 89459726) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Name[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
PubChem CID89459726
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate
SMILESCCn1cnc2cc(NC(=O)OCc3cc(-c4ccc(F)cc4OC)nn3C)ccc21
InChIInChI=1S/C22H22FN5O3/c1-4-28-13-24-19-10-15(6-8-20(19)28)25-22(29)31-12-16-11-18(26-27(16)2)17-7-5-14(23)9-21(17)30-3/h5-11,13H,4,12H2,1-3H3,(H,25,29)
InChIKeyRVUIBLXWKZPVSM-UHFFFAOYSA-N
XLogP4.35
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
The IUPAC name of [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate (CID 89459726) is [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
The canonical SMILES for [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate is CCn1cnc2cc(NC(=O)OCc3cc(-c4ccc(F)cc4OC)nn3C)ccc21.
What is the InChIKey of [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
The InChIKey is RVUIBLXWKZPVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-4-28-13-24-19-10-15(6-8-20(19)28)25-22(29)31-12-16-11-18(26-27(16)2)17-7-5-14(23)9-21(17)30-3/h5-11,13H,4,12H2,1-3H3,(H,25,29).
What are the key properties of [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate?
[3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate has a molecular weight of 423.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-(1-ethylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 89459726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).